Wikidata:Database reports/Constraint violations/P2017
Jump to navigation
Jump to search
Constraint violations report for isomeric SMILES (Discussion, uses, items, changes, related properties): dedicated SMILES for isomer
Data time stamp: (UTC) — Items processed: 418,593
The report is generated based on the settings on Property:P2017#P2302.
Updates overwrite this page. Some may already be fixed since the last update: check RecentChangesLinked.
When incremental dumps and the bot work as planned, items fixed before 07:00 UTC disappear in the next update. The report is not updated if only the item count changes.
The report can include false positives. There is no need to "fix" them.
Data time stamp: (UTC) — Items processed: 418,593
The report is generated based on the settings on Property:P2017#P2302.
Updates overwrite this page. Some may already be fixed since the last update: check RecentChangesLinked.
When incremental dumps and the bot work as planned, items fixed before 07:00 UTC disappear in the next update. The report is not updated if only the item count changes.
The report can include false positives. There is no need to "fix" them.
"Unique value" violations
[edit]Violations count: 267
- C#CC[C@H](N)C(=O)O: DL-propargylglycine (Q27278205), L-propargylglycine zwitterion (Q106345598)
- C(=C/C(=O)[O-])\C=C\C(=O)[O-]: trans,trans-muconate (Q27109929), muconate (Q27116720)
- C(=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)\C(C(C(C(F)(F)F)(F)F)(F)F)(F)F: bis(perfluorobutyl)ethene (Q27117982), (E)-bis(perfluorobutyl)ethene (Q27120696)
- C(C(/C=C/C(=O)C(=O)O)C(=O)O)C(=O)O: 5-oxopent-3-ene-1,2,5-tricarboxylic acid (Q27098299), (3E)-5-oxopent-3-ene-1,2,5-tricarboxylic acid (Q27120884)
- C(C(=O)/C=C/C(=O)O)C(=O)C(=O)O: 3-fumarylpyruvic acid (Q18349093), 4,6-dioxohept-2-enedioic acid (Q27120867)
- C(C(=O)/C=C/C(=O)[O-])C(=O)C(=O)[O-]: 3-fumarylpyruvate(2-) (Q27102112), 4,6-dioxohept-2-enedioate (Q27120868)
- C(C(=O)/C=C/C(=O)[O-])C(=O)[O-]: 4-oxohex-2-enedioate (Q27108910), fumarylacetate (Q27117055)
- C(C/C=C/C(=O)O)CC(=O)O: hept-2-enedioic acid (Q27117087), (E)-hept-2-enedioic acid (Q76422383)
- C(CC(=O)O)/C=C/C(=O)C(=O)O: 2-oxohept-3-enedioic acid (Q27120923), trans-2-oxohept-3-enedioic acid (Q27120924)
- C(CCN)CCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCC/C=N/O)O)O: IC202C (Q27134579), N-(5-aminopentyl)-N-hydroxy-N'-{5-[hydroxy(4-{[5-(hydroxyimino)pentyl]amino}-4-oxobutanoyl)amino]pentyl}butanediamide (Q76414874)
- C(CN)CNC/C=C/CN: N-(3-aminopropyl)but-2-ene-1,4-diamine (Q27120904), trans-N-(3-aminopropyl)but-2-ene-1,4-diamine (Q27120906)
- C(C[C@@H](CC(=O)O)N)CN=C(N)N: beta-homoarginine (Q27461138), (3S)-3-amino-6-[(diaminomethylidene)amino]hexanoic acid (Q27461193)
- C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H](C(CO)O)O)O)O)O)O)O)O: isomalt (Q412068), (3R,4R,5R)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol (Q72485428)
- C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O.C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O: invert sugar (Q412082), Sweetrex (Q83063260)
- C/C(=C/C(=O)C)/N: 4-aminopent-3-en-2-one (Q27122714), (Z)-4-aminopent-3-en-2-one (Q27122715)
- C/C(=C/C(=O)O)/O: 3-hydroxybut-2-enoic acid (Q27118004), (Z)-3-hydroxybut-2-enoic acid (Q76728505)
- C/C(=C\C(=O)OC)/O: methyl 3-hydroxybut-2-enoate (Q27117965), methyl (E)-3-hydroxybut-2-enoate (Q76728433)
- C/C(=C\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O: 4,4'-dihydroxy-alpha-methylstilbene (Q27104326), 4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol (Q76286011)
- C/C(=C\CO)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O: Labd-13-ene-8,15-diol (Q72487092), (1R,2R,4aS,8aS)-1-[(3E)-5-hydroxy-3-methylpent-3-en-1-yl]-2,5,5,8a-tetramethyl-hexahydro-1H-naphthalen-2-ol (Q105150690)
- C/C(=C\COc1c2occc2cc2ccc(=O)oc12)C/C=C/C(C)(C)O: 8-(7-Hydroxy-3,7-dimethyl-2,5-octadienyloxy)psoralen (Q72483888), 9-((7-Hydroxy-3,7-dimethylocta-2,5-dien-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one (Q105351457)
- C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@@H](O)C(C)(C)O: Marmin (Q72488248), 7-{[(2E,6R)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}chromen-2-one (Q104389968)
- C/C/1=C/CCC(=C)/C=C/C(CCC1)(C)C: gamma-humulene (Q27121597), (1Z,6E)-gamma-humulene (Q27121606)
- C/C1=C/Cc2c(C)coc2C/C(C)=C\CC1: Isofuranodiene (Q72485327), furanodiene (Q105288924)
- C/C1=C/[C@@H]2[C@H](CC[C@@]3(CO3)[C@@H](O)[C@H]3[C@@H](O)[C@@H](C)C[C@]3(O)C1=O)C2(C)C: Epoxylathyrol (Q72470981), (1'R,2R,3'Z,5'R,7'S,11'S,12'R,13'S,14'S)-1',11',13'-trihydroxy-3',6',6',14'-tetramethylspiro[oxirane-2,10'-tricyclo[10.3.0.0⁵,⁷]pentadecan]-3'-en-2'-one (Q111269524)
- C/C1=C\C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C(Cl)=C(NC(=O)/C=C\C=C\C=C/[C@H](C)[C@@H](O)CC1=O)C3=O: Naphthomycin B (Q72493628), (7E,9S,10S,11S,12E,14S,16E,20S,21S,22Z,24E,26Z)-31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone (Q105208468)
- C/C=C(/C(=O)O)\N: (2Z)-dehydrobutyrine (Q27094626), 2-aminobut-2-enoic acid (Q27104608)
- C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C: Praeruptorin E (Q72502069), (9S,10S)-8,8-dimethyl-10-[(3-methylbutanoyl)oxy]-2-oxo-9H,10H-pyrano[2,3-h]chromen-9-yl (2Z)-2-methylbut-2-enoate (Q104393558)
- C/C=C(\C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)/C(C)=C/C: Praeruptorin B (Q72502059), Praeruptorin B (Q105212180)
- C/C=C/CC(=O)C(=O)O: trans-2-oxohex-4-enoic acid (Q27104018), 2-oxohex-4-enoic acid (Q27117493)
- C/C=C/CC(=O)C(=O)[O-]: trans-2-oxohex-4-enoate (Q27109245), 2-oxohex-4-enoate (Q27117477)
- C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@H](O)C[C@H]1OC(=O)C=C[C@H]1CC: pironetin (Q59220488), Pironetin (Q105328478)
- C/C=C1/CN2[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c3[nH]c2ccc(OC)cc12: Lochnerine (Q72487678), [(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraen-13-yl]methanol (Q105361524)
- C/C=C1\C(CC(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](OC(=O)CC3C(C(=O)OC)=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)/C3=C/C)[C@@H](O)[C@@H]2O)C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O: Oleonuezhenide (Q72497793), MFZDFMOKBMJUGB-CWERYYTKSA-N (Q110185214)
- C/C=N/N: acetaldehyde hydrazone (Q27117890), acetaldehyde (E)-hydrazone (Q27117891)
- C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CC[C@@H](C4)O)C: 3beta-Hydroxysterol (Q27105496), 3beta-hydroxy steroid (Q75025879)
- C1=CC(=C(C(=C1)O)O)/C=C/C(=O)O: 2,3-dihydroxy-trans-cinnamic acid (Q4596762), 2,3-dihydroxycinnamic acid (Q27121323)
- C1=CC(=C(C=C1/C=C/C(=O)C2=C(C=C(C=C2O)O)O)O)O: 2',3,4,4',6'-pentahydroxychalcone (Q27108675), 2',3,4,4',6'-Pentahydroxychalcone (Q76306514)
- C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)O)O: (EZ)-stilbene-4,4'-diol (Q27116022), (E)-4,4'-stilbenediol (Q27891518)
- C1=CC(=CC=C1/C=C/CO)O: p-coumaryl alcohol (Q420084), 4-hydroxycinnamyl alcohol (Q27103667)
- C1=CC(=CC=C1C/C=N/O)O: (4-hydroxyphenyl)acetaldehyde oxime (Q27098176), (E)-(4-hydroxyphenyl)acetaldehyde oxime (Q27098177)
- C1=CC=C(C(=C1)/C=C/C(=O)C(=O)O)C(=O)O: trans-2-carboxybenzylidenepyruvic acid (Q27098144), 4-(2-carboxyphenyl)-2-oxobut-3-enoic acid (Q27121543)
- C1=CC=C(C=C1)/C=C/C=C/C2=CC=CC=C2: (1E,3E)-1,4-diphenyl-1,3-butadiene (Q27116416), 1,4-diphenylbutadiene (Q27122663)
- C1=CC=C(C=C1)/N=[N+](/C2=CC=CC=C2)\[O-]: azoxybenzene (Q5715108), (Z)-azoxybenzene (Q27122876)
- C1=CC=C(C=C1)C(=O)C/C=C/C(=O)C(=O)O: 2,6-dioxo-6-phenylhexa-3-enoic acid (Q27133378), (E)-2,6-dioxo-6-phenylhex-3-enoic acid (Q76309298)
- C1=CC=C(C=C1)C/C=N/O: phenylacetaldoxime (Q27120790), (E)-phenylacetaldoxime (Q27120792)
- C1=CC=C2/C=C3/C=CC=C/C(=C/C(=C1)C2)C3: syn-1,6:8,13-Bismethano[14]annulene (Q81978802), Tricyclo[8.4.1.13,8]hexadeca-1,3,5,7,9,11,13-heptaene (Q81986678)
- C1=CC=C2C(=C1)C(=C(S2)/C=C/C(=O)C(=O)O)O: 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (Q27132038), trans-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid (Q27132040)
- C1=CC=C2C(=C1)C(=CN2)C/C=N/O: (E)-indol-3-ylacetaldoxime (Q27102452), indol-3-ylacetaldoxime (Q27103629)
- C1CO[C@H]([C@@H](O1)Cl)Cl: trans-2,3-dichloro-1,4-dioxane (Q27264302), (2S,3S)-2,3-dichloro-1,4-dioxane (Q102049439)
- C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O: theasinensin A (Q27108424), theasinensin D (Q60794989)
- C=C(CO)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12: 30-Hydroxylup-20(29)-en-3-one (Q72484692), (1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-1-(3-hydroxyprop-1-en-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-tetradecahydro-1H-cyclopenta[a]chrysen-9-one (Q104396771)
- C=C/C=C/C(=O)O: penta-2,4-dienoic acid (Q27116652), (E)-penta-2,4-dienoic acid (Q27117106)
- C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)O: Fatty acids C14-C18 and C16-C18 unsaturated (Q72478110), (2E,4E,6E,8E,10E,12E)-pentadeca-2,4,6,8,10,12,14-heptaenoic acid (Q76386410)
- C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O: Effusanin A (Q72470620), (1S,2S,5R,8S,9S,10S,11R,15S)-9,10,15-trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-7-one (Q104402799)
- C=C1C/C(=C\C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)OC(C)=O)[C@H]23: Seneciphyllinine (Q72507329), (1R,4E,7R,17R)-4-ethylidene-7-methyl-6-methylidene-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-en-7-yl acetate (Q104969716)
- C=C1C/C(=C\C)C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@]1(C)O)[C@H]23: Seneciphylline N-oxide (Q72507327), spartioidine N-oxide (Q106029718)
- C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/c1ccoc1: Coronarin E (Q72461536), 3-[(1E)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethenyl]furan (Q105229928)
- C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C: 2-Deacetoxytaxinine B (Q72461484), (1R,3R,5S,7S,8S,9R,10R)-7,9,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidene-13-oxotricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl (2E)-3-phenylprop-2-enoate (Q105188930)
- C=CC(C)(O)CC/C=C(\C)C(=O)O: 6-Hydroxy-2,6-dimethyl-2,7-octadienoic acid (Q72483885), (2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoic acid (Q105259748)
- C=CC1=CC([C@@H]2O[C@H](COP(=O)(O)CC(=O)O)[C@@H](O)[C@@H]2O)C(=O)NC1N: 1-(6-Amino-5-ethenyl-2-hydroxy-3,6-dihydropyridin-3-yl)-1,4-anhydro-5-O-[(carboxymethyl)(hydroxy)phosphoryl]pentitol (Q82896009), 2,4(1H,3H)-Pyrimidinedione, 1-[5-O-[(carboxymethyl)hydroxyphosphinyl]-β-D-arabinofuranosyl]-5-ethenyl- (Q90526294)
- C=CC1C[N+]2(C)CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.[Cl-]: 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride (Q82966012), quinine methochloride (Q117338279)
- C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)OC4=O)[C@@H](CCC(=O)OC)[C@@H]3C: methyl 3-[(22S,23S)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetraazahexacyclo[19.2.1.1⁶,⁹.1¹¹,¹⁴.1¹⁶,¹⁹.0²,⁷]heptacosa-1(24),2(7),6(27),9,11(26),12,14,16,18,20-decaen-23-yl]propanoate (Q104972367), methyl 3-[(22S,23S)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetraazahexacyclo[19.2.1.1⁶,⁹.1¹¹,¹⁴.1¹⁶,¹⁹.0²,⁷]heptacosa-1(24),2(7),6(27),9,11(26),12,14,16,18,20-decaen-23-yl]propanoate (Q110012270)
- C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)OC4=O)[C@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C: WSSDCOMNIRJABY-KNSAIOJLSA-N (Q105312063), WSSDCOMNIRJABY-PSGYQTALSA-N (Q110011884)
- C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C: methyl (3R,21S,22S)-16-ethenyl-11-ethyl-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaene-3-carboxylate (Q105121713), methyl (3R,21S,22S)-16-ethenyl-11-ethyl-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaene-3-carboxylate (Q110132765)
- C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@H]4C(=O)OC)[C@H](CCC(=O)OC)[C@@H]3C: methyl (3S,21S,22R)-16-ethenyl-11-ethyl-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaene-3-carboxylate (Q105121712), methyl (3S,21S,22R)-16-ethenyl-11-ethyl-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaene-3-carboxylate (Q110067919)
- C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@]4(O)C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C: methyl (3S,21S,22S)-16-ethenyl-11-ethyl-3-hydroxy-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaene-3-carboxylat (Q104985967), methyl (3S,21S,22S)-16-ethenyl-11-ethyl-3-hydroxy-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaene-3-carboxylat (Q110132770)
- C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@]4(O)C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)[C@@H]3C: FXEQZWHMONOEMA-NHQODRBHSA-N (Q105003858), FXEQZWHMONOEMA-VDJAUBMESA-N (Q110132769)
- C=Cn1c2c(c3ccccc31)/C=C\C=C/C=C2: 5-ethenylcycloocta[b]indole (Q104888717), 5-ethenylcycloocta[b]indole (Q110157658)
- CC#C/C=C/C=O: hex-2-en-4-ynal (Q27122746), (E)-hex-2-en-4-ynal (Q27122747)
- CC(/C([H])=C([H])\[C@](O)([H])C[C@](O1)([H])[C@@](C2=O)([H])C)=C([H])/C[C@@](O)([H])/C([H])=C([H])\C(C)=C([H])/C(N=C(O)[C@@](O)([H])C)([H])[C@@]2(C1=O)C: (2R)-N-[(1S,3Z,5Z,7S,9E,11Z,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-hydroxypropanimidic acid (Q105105593), (2R)-N-[(1S,3E,5Z,7S,9E,11Z,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-hydroxypropanimidic acid (Q110125829)
- CC(=CCC/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)/C)/C)C: 4,4'-diapo-zeta-carotene (Q27132136), all-trans-4,4'-diapo-zeta-carotene (Q27132137)
- CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)C: all-trans-zeta-carotene (Q8069696), zeta-carotene (Q27109947)
- CC(=CCC/C(=C/CC/C(=C/C=C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C: 4,4'-diapophytoene (Q27132130), all-trans-4,4'-diapophytoene (Q27132132)
- CC(=CCC/C(=C/CC/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)C: 4,4'-diapophytofluene (Q27132134), all-trans-4,4'-diapophytofluene (Q27132135)
- CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C: dodecaprenyl diphosphate (Q27123927), all-trans-dodecaprenyl diphosphate (Q27157901)
- CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C: decaprenyl diphosphate (Q27123932), all-trans-decaprenyl diphosphate (Q27130563)
- CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)C: all-trans-heptaprenyl diphosphate (Q27102478), heptaprenyl diphosphate (Q27123935)
- CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)C: geranylgeranyl diphosphate(3-) (Q27124761), 2-trans,6-trans,10-trans-geranylgeranyl diphosphate(3-) (Q27126025)
- CC(=CCC/C(=C/CNCCNC1C2CC3CC(C2)CC1C3)/C)C: sq-109 (Q7392720), N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine (Q27454083)
- CC(=CCC1=C(C=C(C(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)OC)O)C: xanthohumol (Q408088), 1-[2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one (Q27166535)
- CC(=O)/C=C1/OC(=O)C(C)=C1O: xanthofusin (Q6169094), Xanthofusin (Q105272695)
- CC(=O)N[C@@H](CCCCN)C(=O)O: N-acetyllysine (Q27104319), N(2)-acetyl-L-lysine zwitterion (Q106345559)
- CC(=O)N[C@@H](CCCN)C(=O)O: N(2)-acetyl-L-ornithine (Q26690116), N(2)-acetyl-L-ornithine zwitterion (Q106345492)
- CC(=O)O[C@H]1[C@H]2[C@@H](OC(=O)Cc3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]2[C@H](CC[C@@]13CO3)C2(C)C: Euphorbiasteroid (Q72477980), (1'R,2R,3'E,5'R,7'S,11'S,12'R,13'S,14'S)-1',11'-bis(acetyloxy)-3',6',6',14'-tetramethyl-2'-oxospiro[oxirane-2,10'-tricyclo[10.3.0.0⁵,⁷]pentadecan]-3'-en-13'-yl 2-phenylacetate (Q105250631)
- CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@H](OC(C)=O)C2: Epicatechin pentaacetate (Q72470821), (2R,3R)-3,7-bis(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-3,4-dihydro-2H-1-benzopyran-5-yl acetate (Q104937847)
- CC(C)(C)C#C/C=C/CCl: 1-Chloro-6,6-dimethyl-2-hepten-4-yne (Q72518700), (E)-1-chloro-6,6-dimethylhept-2-en-4-yne (Q76417023)
- CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O: acyl-CoA (Q2699537), fatty acyl-CoA (Q33616143), long-chain fatty acyl-CoA (Q74652596)
- CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC[*]: long-chain 3-substituted propanoyl-CoA(4-) (Q74505684), medium-chain 3-substituted propanoyl-CoA(4-) (Q74569165), very long-chain 3-substituted propanoyl-CoA(4-) (Q74639063), short-chain 3-substituted propanoyl-CoA(4-) (Q75009134), 3-substituted propionyl-CoA(4-) (Q75035295)
- CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)[*]: very long-chain (R)-3-hydroxyacyl-CoA(4-) (Q74552327), (R)-3-hydroxyacyl-CoA(4-) (Q74804654)
- CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\[*]: short-chain 2,3-trans-enoyl CoA(4-) (Q74561671), 2,3-trans-enoyl CoA(4-) (Q74648575), medium-chain 2,3-trans-enoyl CoA(4-) (Q75009143), very long-chain 2,3-trans-enoyl CoA(4-) (Q75009423), long-chain 2,3-trans-enoyl CoA(4-) (Q75079472)
- CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O: Acyl-CoA (4-) (Q60029459), fatty acyl-CoA(4-) (Q74174417), C24:1-CoA(4-) (Q74504391), long-chain fatty acyl-CoA(4-) (Q74651136), C26:1-CoA(4-) (Q74805462)
- CC(C)(O)[C@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)O1: Cycloastragenol (Q72459323), CID 13943288 (Q105303198)
- CC(C)/C=N/OC: 2-methylpropanal O-methyloxime (Q27102000), (1E)-2-methylpropanal O-methyloxime (Q27116650)
- CC(C)=CCC/C(C)=C/Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c(O)cc1O: Kuwanon E (Q72487073), 4H-1-Benzopyran-4-one, 2-(5-((2E)-3,7-dimethyl-2,6-octadienyl)-2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)- (Q105009360)
- CC(C)=CCCC(C)=CCCC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)\C=C/C=C(\C)CCC=C(C)C: (6E,8Z,10Z,12E,14E,16E,18E,20E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene (Q104918300), (6E,10Z,12E,14E,16E,18E,20E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene (Q110191353)
- CC(C)=CCNc1ncn(CC[C@H](N)C(=O)O)c2ncnc1-2: discadenine (Q73403431), discadenine zwitterion (Q106345682)
- CC(C)=CCc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O: Flavaprin (Q72478332), phellodensin F (Q104399944)
- CC(C)C(=C)C/C=C(\C)/C(=O)O: trans-2,6-dimethyl-5-methylenehept-2-enoic acid (Q27109932), 2,6-dimethyl-5-methylenehept-2-enoic acid (Q27116719)
- CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)CC1: Hop-17(21)-en-3-ol (Q72482556), Hop-17(21)-en-3beta-ol (Q104979763)
- CC(C)OC(=O)/C=C(/C)\O: isopropyl 3-hydroxybut-2-enoate (Q27118003), propan-2-yl (Z)-3-hydroxybut-2-enoate (Q76728525)
- CC(C)[C@H](N)C(=O)O: Valine (Q72516000), L-valine zwitterion (Q106345667)
- CC(C)[C@]12CC[C@@](C)(O)[C@H]1C2: cis-sabinene hydrate (Q72266305), sabinene hydrate (Q105147491)
- CC(C=CC=C(C)C=CC1=C(C)CC(OC2OC(C)C(O)C(O)C2O)CC1(C)C)=CC=C/C=C(C)\C=C/C=C(/C)C=CC1=C(C)CC(O)CC1(C)C: 2-({4-[(11Z,13Z,15Z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol (Q105212201), 2-({4-[(11Z,15Z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol (Q110198448)
- CC/C=C(\OC)C(=O)N[C@@H](C)/C=C(C)/C=C(C)/C=C/C[C@H](C)[C@H]1OC(=O)[C@H](C)C[C@@H]1C: Pellasoren A (Q58241762), Pellasoren A (Q105141794)
- CC/C=C/C=C/C(=O)O: (2E,4E)-2,4-heptadienoic acid (Q27289199), Hyptadienic acid (Q72482188)
- CC/C=C/CCCCCCCCCC(=O)O: trans-11-tetradecenoic acid (Q27117094), 11-tetradecenoic acid (Q27117456)
- CC/C=C\CC1C(O1)C/C=C\CCCCCCCC(=O)O: A-12(13)-EpODE (Q27160340), (9Z)-11-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid (Q27451595)
- CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1: 3-O-Caffeoyloleanolic acid (Q72514873), (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid (Q105193038)
- CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(CO)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@]43C)[C@H]2C1: Arjunic acid (Q72443781), 2,3,25-Trihydroxyolean-12-en-28-oic acid (Q82881727)
- CC1(C)C[C@H](O)C2=C(O1)C(=O)c1c(O)cccc1C2=O: 4,9-Dihydroxy-alpha-lapachone (Q72466725), (4S)-4,9-dihydroxy-2,2-dimethyl-3H,4H-naphtho[2,3-b]pyran-5,10-dione (Q105140797)
- CC1=CC(=C(C#N)C#N)C=C(O1)/C=C/C2=CC=C(C=C2)N(C)C: 4-(dicyanomethylene)-2-methyl-6-(4-(dimethylamino)styryl)-4H-pyran (Q27123092), 4-(Dicyanomethylene)-2-methyl-6-(4-(dimethylamino)styryl)-4H-pyran (Q83125704)
- CC1=CC(=O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O: Blumenol B (Q72447706), 7,8-dihydrovomifoliol (Q104971434)
- CC1=CC([C@@H]2O[C@H](COP(=O)(O)CC(=O)O)[C@@H](O)[C@@H]2O)C(=O)NC1N: 1-(6-Amino-2-hydroxy-5-methyl-3,6-dihydropyridin-3-yl)-1,4-anhydro-5-O-[(carboxymethyl)(hydroxy)phosphoryl]pentitol (Q82896008), 2,4(1H,3H)-Pyrimidinedione, 1-[5-O-[(carboxymethyl)hydroxyphosphinyl]-β-D-arabinofuranosyl]-5-methyl- (Q90539629)
- CC1=CC/C(=C(/C)\CCC=C(C)C)/CC1: (Z)-γ-bisabolene (Q4039091), gamma-bisabolene (Q27121553)
- CC1=CC2OC3CC(OC(=O)/C=C/C=C/C=C/C(=O)O)C(C)(C2(C)CC1)C31CO1: Harzianum A (Q72481069), harzianum A (Q77568491)
- CC1=CCC(CC1)/C(=C/CC=C(C)C)/C: alpha-bisabolene (Q4032852), (E)-alpha-bisabolene (Q27121556)
- CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O: thymidine diphosphate glucose anion (Q258653), 2'Deoxy-thymidine-5'-diphospho-alpha-D-glucose (Q76100248)
- CC1=CNC(=C1CCC(=O)O)/C=C\2/C3=CC=CC=C3NC2=O: 3-[(3-(2-carboxyethyl)-4-methylpyrrol-2-yl)methylene]-2-indolinone (Q27097781), SU5402 (Q27132630)
- CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C4\CO[C@H](C1=O)[C@@]42O)O[C@]1(C3)C[C@H](O)[C@H](C)[C@@H](C(C)C)O1: 5-Oxoavermectin "2b" aglycone (Q106042226), 5-Oxoavermectin "2a" aglycone (Q106042227)
- CC1=C\C=C\C(C)=C\C[C@H](C)NC(=O)/C(CC(C)C)=C/C(C)=C/C=C/C=C/[C@@](C)(O)[C@@H](O[C@@H]2OC[C@@H](O[C@H]3C[C@@](C)(O)[C@H](N(C)C)[C@@H](C)O3)[C@H](O)[C@H]2N)/C=C\C=C\1: Auroramycin (Q105250487), SCXSAOWAWJDUND-ZBTULVDDSA-N (Q110156703)
- CC1=C\C=C\C=C/CC(C)NC(=O)/C=C/C=C/C=C/C(C)C(O)C(O)C(O)CC(O)/C=C\C=C\1: Micromonolactam (Q105030173), (3E,5E,7E,15Z,17E,19E,21E,23Z)-9,19,26-trimethyl-1-azacyclohexacosa-1,3,5,7,15,17,19,21,23-nonaene-2,10,11,12,14-pentol (Q110157296)
- CC1=C\C=C\C=C\CC(C)NC(=O)/C=C/C=C/C(C)[C@@H](O)C(O)[C@@H](O)C[C@@H](O)/C=C/C=C\C=C\1: Salinilactam (Q77519307), (3E,5E,8R,10S,12R,13E,15Z,17E,19E,21E,23E)-8,9,10,12-tetrahydroxy-7,19,26-trimethyl-1-azacyclohexacosa-3,5,13,15,17,19,21,23-octaen-2-one (Q110124151)
- CC1=C\C=C\[C@H]2[C@H](O)[C@@H](C)CN2C(=O)CC(=O)/C=C/C(C)=C/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\C=C\1: Niizalactam B (Q125617700), (5E,7E,9E,12S,13S,15Z,17E,19E,21E,23S,24R,25S)-12,13,24-trihydroxy-7,19,25-trimethyl-1-azabicyclo[21.3.0]hexacosa-5,7,9,15,17,19,21-heptaene-2,4,14-trione (Q125699881)
- CC1=C\C[C@H](O)/C=C\C(C)=C\[C@@H](NC(=O)[C@H](C)O)[C@]2(C)C(=O)O[C@@H](C[C@H](O)\C=C/1)[C@@H](C)C2=O: (2S)-N-[(1S,2R,3E,5Z,7S,9E,11Z,13S,15S,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-hydroxypropanimidic acid (Q111253892), (2S)-N-[(1S,2R,3E,5Z,7S,9E,11Z,13S,15S,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-hydroxypropanimidic acid (Q111279911)
- CC1CCC(O)/C=C\C(=O)OC(C)CCC(O)/C=C\C(=O)O1: 5,13-Dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione (Q72466624), (3Z,11Z)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione (Q110187461)
- CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(O)C(OC3OC(C)C(O)C(O)C3O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O: Poliumoside (Q72501181), Poliumoside (Q105350785)
- CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2/C(=C/C=C3C[C@@H](O)C(=CCO)[C@H](O)C3)/CCC[C@]12C: (1R,2Z,3R,5E,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol (Q27456124), (1R,2E,3R,5Z,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol (Q27467742)
- CCC/C=C/COC(=O)/C=C/CCC: (2E)-2-Hexenoic acid (2E)-2-hexen-1-yl ester (Q72482267), [(E)-hex-2-enyl] (E)-hex-2-enoate (Q76305491)
- CCC1=C(C)C2=CC3=N/C(=C4\C5=N/C(=C\c6[nH]c(c(C)c6CC)/C=C/1N2)C(C)=C5C(=O)[C@@H]4C(=O)OC)C(CCC(=O)OC/C=C(/C)CC/C=C(\C)CCC=C(C)C)=C3C: MIQJQJSWVOEPOI-GVYNRGHVSA-N (Q105165165), MIQJQJSWVOEPOI-IRFUOUEMSA-N (Q110167276)
- CCCC/C=[N+](/CCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)\[O-]: IC202A (Q27134577), N-[4-[[4-[5-[[4-[5-aminopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]butyl]pentan-1-imine oxide (Q76755739)
- CCCCC/C=C/C/C=C/CCCCCCCCBr: 18-Bromo-6,9-octadecadiene (Q72448848), (6E,9E)-18-bromooctadeca-6,9-diene (Q76313735)
- CCCCCC/C=C/CCCCCCCC(=O)O: hexadec-9-enoic acid (Q27139858), palmitelaidic acid (Q27888066)
- CCCCCC/C=C/CCCCCCCCC(=O)O: trans-10-heptadecenoic acid (Q27145123), 10-heptadecenoic acid (Q27145124)
- CCCCCC/C=C/CCCCCCCCCC(=O)[O-]: trans-vaccenate(1-) (Q27113997), vaccenate(1-) (Q27122092)
- CCCCCCCC(=O)CC(=O)NC[C@@H](O)C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSC(C)[C@@H](C(=O)NC(C(=O)N[C@@H](CCSC)C(=O)O)[C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@H](C)O)NC1=O: phaeornamide (Q125564184), FLWHPQUVMPAKBT-DKPWBKMBSA-N (Q125700705)
- CCCCCCCC/C=C\CCCCCCCC(=O)OCCO: glycol oleate (Q27273405), Polyethylene glycol monooleate (Q72501393)
- CCCCCCCC/C=C\CCCCCCCC(=O)OCCOC(=O)CCCCCCC/C=C\CCCCCCCC: ethylene glycol dioleate (Q27276727), Polyethylene glycol dioleate (Q72501369)
- CCCCCCCCC/C=C/C(=O)O: trans-2-dodecenoic acid (Q27117056), 2-dodecenoic acid (Q27117632)
- CCCCCCCCC/C=C/CC/C=C/[C@@H](O)C(CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC: Soyacerebroside I (Q72508599), Soya-cerebroside I (Q110184587)
- CCCCCCCCC/C=C\CC/C=C/[C@@H](O)C(CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC: Soyacerebroside II (Q72508603), (2R)-2-hydroxy-N-[(3R,4E,8Z)-3-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide (Q104401021)
- CCCCCCCCCC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctadec-7-ene (Q27118106), (E)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctadec-7-ene (Q27120681)
- CCCCCCCCCCC/C=C/C(=O)O: trans-2-tetradecenoic acid (Q27117091), 2-tetradecenoic acid (Q27131059)
- CCCCCCCCCCCCCCC/C=C/C(=O)O: trans-octadec-2-enoic acid (Q27122121), octadec-2-enoic acid (Q27122122)
- CCCCCCCCCCCCCCC/C=C1\OC(=O)C1CCCCCCCCCCCCCCC: 2-Oxetanone 3-C14-16-alkyl 4-C15-17-alkylidene derivs (Q72498401), (4Z)-4-Hexadecylidene-3-pentadecyloxetan-2-one (Q81986872)
- CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC([*])=O: 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) (Q74648580), 1-stearoyl-2-acyl-sn-glycero-3-phospho-(1D-myo-inositol)(1-) (Q74804826)
- CCCCCCCCCCCCCCCCCCCCCCC/C=C/C(=O)O: trans-2-hexacosenoic acid (Q27123840), 2-hexacosenoic acid (Q27123845)
- CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC([*])=O: N-(2-hydroxytetracosenoyl)sphinganine (Q74509627), C24:1-sphinganine (Q74514653), C26:1-sphinganine (Q75082702)
- CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC([*])=O: N-acylsphingosine (Q60537688), N-tetracosenoylsphingosine (Q75007603)
- CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)[*]: 1-(beta-D-galactosyl)-2-(2-hydroxyacyl)sphingosine (Q75007144), N-(2-hydroxyacyl)-beta-D-galactosylsphingosine (Q75031854)
- CCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC([*])=O: N-acylheptadecasphingosine (Q74700289), N-tetracosenoyl-C17-sphingosine (Q74702927)
- CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)NC1CC2(OC1O)[C@@H]1O[C@@H]1C(=O)[C@@H]1O[C@@H]12: Aranorosine (Q72443632), Aranorosin (Q105128249)
- CCC[C@H]([C@@H](CO)O)O: (R,R)-(+/-)-1,2,3-hexanetriol (Q106675783), (2R,3R)-1,2,3-hexanetriol (Q110392421)
- CCN(CC)C(=O)/C(=C(\C)/OP(=O)(OC)OC)/Cl: phosphamidon (Q424889), (Z)-phosphamidon (Q27280053)
- CCN(CC)C(=O)/C=C(\C)/O: N,N-diethyl-3-hydroxybut-2-enamide (Q27117988), (E)-N,N-diethyl-3-hydroxybut-2-enamide (Q76728518)
- CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C: penicillin G procaine (Q3435660), Penicillin G Procaine (Q126596368)
- CCN1C=C/C(=C\C=C\C2=CC=[N+](C3=CC=CC=C23)CC)/C4=CC=CC=C41: cryptocyanin(1+) (Q27123598), 1,3-bis-(1-ethyl-[4]quinolyl)-trimethinium (Q29053930)
- CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CC(C)C3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC: Methyllycaconitine (Q3333710), CID 441748 (Q125617838)
- CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(OC(C)=O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccc(OC)cc1: Vilmorrianine C (Q72516301), CID 20055981 (Q104396135)
- CCO/C=C/C(=O)Cl: (E)-3-Ethoxyacryloyl chloride (Q72471261), (E)-3-ethoxyprop-2-enoyl chloride (Q76303665)
- CCOC(=O)/C=C/C=C/C: ethyl 2,4-hexadienoate (Q27140166), ethyl sorbate (Q63398535)
- CCOC(=O)/C=C/c1ccc(OC)c(O)c1: Ethyl isoferulate (Q72475597), (E)-Ethyl 3-(3-hydroxy-4-methoxyphenyl)acrylate (Q105194986)
- CCOC(=O)[C@@H]([C@H](C(=O)OCC)O)O: diethyl L-tartrate (Q55078681), diethyl DL-tartrate (Q106339114)
- CCOC(=O)[C@H]([C@@H](C(=O)OCC)O)O: diethyl D-tartrate (Q55078682), diethyl DL-tartrate (Q106339114)
- CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN1C(=O)CC(SC[C@H](N)C(=O)O)C1=O)C(C)C: Vorsetuzumab mafodotin (Q7941885), Denintuzumab mafodotin (Q25326690)
- CC[C@H](N)C(=O)NCC(=O)O: H-Abu-Gly-OH (Q82239906), N-[(2S)-2-ammoniobutanoyl]glycinate (Q106345691)
- CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O[C@H]1[C@H](O)[C@H](OC)[C@H](OC/C2=C\C=C\C[C@H](O)/C(C)=C/[C@H](CC)[C@@H](O[C@@H]3OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]3O)/C(C)=C/C(C)=C/C[C@@H]([C@@H](C)O)OC2=O)O[C@@H]1C: fidaxomicin (Q5446672), fidaxomicin (Q111242331)
- CCn1ccc(-c2cc(-c3cnn(C)c3)cc([C@@H](C)NC(=O)c3cc(OCCN(C)C)ccc3C)c2)n1: Jun12682 (Q128994195), MK-7845 (Q130259921)
- CN(C)C(=O)/N=N/C(=O)N(C)C: 1,1'-azobis(N,N-dimethylformamide) (Q4381023), (3E)-3-(dimethylcarbamoylimino)-1,1-dimethylurea (Q76304692)
- CN(C)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]: 4-dimethylamino-4'-nitrostilbene (Q27122685), N,N-dimethyl-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline (Q76305843)
- CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(C[C@@H]12)[C@](C)(O)c1cccc(O)c1C3=O: 12-dehydrotetracycline (Q96582311), 12-dehydrotetracycline zwitterion (Q106345700)
- CN1/C(=C\C2=CC=CC=C2)/C(=O)NC3=CC=CC=C3C1=O: dehydrocyclopeptine (Q27139509), (Z)-dehydrocyclopeptine (Q27139516)
- CN1C=C(C=C1/C=C/C(=O)NO)C(=O)CC2=CC=CC=C2: (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide (Q27096574), N-hydroxy-3-[1-methyl-4-(1-oxo-2-phenylethyl)-2-pyrrolyl]-2-propenamide (Q27166526)
- CO/C=C(C(=O)OC)\C(C)=C(\C=C\c1ccc(Cl)c(OC)c1)OC: methyl (2E,3Z,5E)-6-(4-chloro-3-methoxyphenyl)-4-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate (Q105350796), methyl (2E,5E)-6-(4-chloro-3-methoxyphenyl)-4-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate (Q110180521)
- COC(=O)/C/1=C/C2=C(NC3=CC=CC=C23)/C(=C\C4=C1NC5=CC=CC=C45)/C(=O)OC: Caulerpin (Q27151423), 2,13-dimethyl 11,22-diazapentacyclo[13.7.0.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosa-1,3,5,7,9,12,14,16,18,20-decaene-2,13-dicarboxylate (Q104251872)
- COC(=O)C1=c2[nH]c3ccccc3/c2=C/C(C(=O)O)=c2[nH]c3ccccc3c2=C1: (3Z)-13-(methoxycarbonyl)-11,22-diazapentacyclo[13.7.0.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosa-1,3,5,7,9,12,14,16,18,20-decaene-2-carboxylic acid (Q105032580), (3Z)-13-(methoxycarbonyl)-11,22-diazapentacyclo[13.7.0.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosa-1,3,5,7,9,12,14,16,18,20-decaene-2-carboxylic acid (Q110127269)
- COC(=O)C1=c2[nH]c3ccccc3c2=CC(C(=O)OC)=c2[nH]c3ccccc3/c2=C/1: 2,13-dimethyl (14Z)-11,22-diazapentacyclo[13.7.0.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosa-1,3,5,7,9,12,14,16,18,20-decaene-2,13-dicarboxylate (Q105215642), 2,13-dimethyl (14Z)-11,22-diazapentacyclo[13.7.0.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosa-1,3,5,7,9,12,14,16,18,20-decaene-2,13-dicarboxylate (Q110126557)
- COC(=O)C=CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)\C=C/C=C(\C)CCC=C(C)C: methyl (6E,8E,10E,12E,14E,16Z,18Z,20E)-4,8,13,17,21,25-hexamethylhexacosa-2,4,6,8,10,12,14,16,18,20,24-undecaenoate (Q105255273), methyl (6E,8E,10E,12E,14E,16Z,20E)-4,8,13,17,21,25-hexamethylhexacosa-2,4,6,8,10,12,14,16,18,20,24-undecaenoate (Q110197553)
- COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2: Methyl corosolate (Q72489553), methyl (1S,2R,4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylate (Q104945110)
- COC1=CC(=CC(=C1O)O)/C=C/CO: (E)-5-hydroxyconiferyl alcohol (Q27114167), 5-hydroxyconiferyl alcohol (Q27158872)
- COC[C@@]12CC[C@H](OC)[C@]34C([C@H]([C@H](OC)C13)[C@@]1(O)[C@@H](O)[C@H](OC)C3(O)C[C@@H]4[C@@H]1C3OC(=O)c1ccccc1)N(C)C2: Benzoylhypaconine (Q72440306), Benzoylhypaconitine (Q104666919)
- COC[C@H](Cc1ccc(OC)c(OC)c1)[C@H](COC)Cc1cc(OC)c2c(c1)OCO2: Niranthin (Q72494189), 6-[(2R,3R)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole (Q104401847)
- CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1O: alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-Glcp-OMe (Q106046015), beta-D-Galp-(1->4)-[alpha-L-Rhap-(1->3)]-beta-D-Glcp-OMe (Q106046018)
- CO[C@H]1CCCN2[C@H]([C@@H]3C[C@H](C)C(=O)O3)CC[C@@H]2[C@]12C[C@H](C)C(=O)O2: Stemospironine (Q72508876), Stemonidine (Q110184274)
- CO[C@H]1c2cc(C)c(=O)c(=O)c(C(C)C)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O: (1R,10S,11S,12S)-3-hydroxy-4-isopropyl-10-methoxy-7,13,13-trimethyl-18-oxatetracyclo[9.5.2.0¹,¹².0²,⁹]octadeca-2(9),3,7-triene-5,6,17-trione (Q105182851), (1R,10S,11S,12S)-3-hydroxy-10-methoxy-7,13,13-trimethyl-4-propan-2-yl-18-oxatetracyclo[9.5.2.01,12.02,9]octadeca-2(9),3,7-triene-5,6,17-trione (Q110157757)
- COc1cc(-c2oc3cc(O)cc(=O)c-3cc2O[C@@H]2O[C@H](C[O+]=C(O)C=Cc3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O: malvidin 3-O-{6-O-[(Z)-caffeoyl]-beta-D-glucoside} (Q106010172), malvidin 3-O-{6-O-[(E)-caffeoyl]-beta-D-glucoside} (Q106010173)
- COc1cc(-c2oc3cc(O)cc(=O)c-3cc2O[C@@H]2O[C@H](C[O+]=C(O)C=Cc3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1O: 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside (Q106010170), 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside (Q106010171)
- COc1cc(-c2oc3cc(O)cc(=O)c-3cc2O[C@@H]2O[C@H](C[O+]=C(O)C=Cc3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside (Q106010168), peonidin-3-O-(6-O-trans-p-coumaryl-beta-D-glucoside) (Q106010169)
- COc1cc(C(=O)OC[C@@]2(O)CO[C@@H](OC[C@H]3O[C@@H](Oc4cc(OC)c(OC)c(OC)c4)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)cc(OC)c1O: 5''-O-Syringoylkelampayoside A (Q72509337), [(3S,4R,5R)-3,4-dihydroxy-5-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate (Q105136558)
- COc1cc(C2C(C(=O)N3CCC=CC3=O)[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2C(=O)N2CCC=CC2=O)cc(OC)c1OC: 1-[(2s,3S)-3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one (Q110179018), 1-[(2s,3S)-3-(2-oxo-5,6-dihydropyridine-1-carbonyl)-2,4-bis(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-5,6-dihydropyridin-2-one (Q111255248)
- COc1cc(O)cc(/C=C/c2ccccc2)c1CC=C(C)C: Longistylin C (Q72487693), 3-methoxy-4-(3-methylbut-2-en-1-yl)-5-[(1E)-2-phenylethenyl]phenol (Q105178355)
- COc1cc([C@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O: Massonianoside B (Q72488263), (2S,3R,4R,5R,6S)-2-{4-[(2S,3R)-7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy}-6-methyloxane-3,4,5-triol (Q105208950)
- COc1cc2c(c(O)c1O)[C@@H]1C[C@@]3(OC2)C(=O)c2c(coc2C)[C@@H]3C(=O)O1: Penicillolide (Q44188757), Penicillolide (Q105135861)
- COc1cc2c(cc1O)CCN(C)[C@@H]2Cc1ccc(Oc2cc(C[C@@H]3c4cc(OC)c(OC)cc4CCN3C)ccc2O)cc1: Daurinoline (Q72461462), (1R)-1-{[4-(5-{[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl}-2-hydroxyphenoxy)phenyl]methyl}-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol (Q104916311)
- COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CC[N+]1(C)C: Xanthoplanine (Q72516640), (9S)-5-hydroxy-4,15,16-trimethoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-10-ium (Q104395630)
- COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC14OC4CN3CCC2: Wilsonine (Q72516570), Epiwilsonine (Q104394589)
- COc1cc2ccc(=O)oc2c(OC)c1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C: Farnochrol (Q72478080), 2H-1-Benzopyran-2-one, 6,8-dimethoxy-7-(((2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl)oxy)- (Q104396058)
- COc1ccc(C(=O)/C=C/c2ccc(O)cc2)c(O)c1CC=C(C)C: 2-Propen-1-one, 1-[2-hydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-, (2E)- (Q90518180), 4-hydroxyderricin (Q104396955)
- COc1ccc(C[C@@H]2COc3c(C)c(O)c(C)c(O)c3C2=O)cc1: Methylophiopogonanone B (Q72493950), (3R)-5,7-dihydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one (Q104393836)
- COc1ccc2ccc(=O)oc2c1/C=C/C(C)(O)CO: Casegravol (Q72515822), Casegravol (Q104395446)
- CSCCC(=O)/C(=C/OP(=O)(O)O)/O: 1-Penten-3-one, 2-hydroxy-5-(methylthio)-1-(phosphonooxy)- (Q27122138), [(Z)-2-hydroxy-5-methylsulfanyl-3-oxopent-1-enyl] dihydrogen phosphate (Q76306536)
- CSCCC/C=N/O: 4-methylthiobutanaldoxime (Q27122194), (NE)-N-(4-methylsulfanylbutylidene)hydroxylamine (Q76513031)
- C[C@@H](CN)C(=O)O: (S)-3-aminoisobutyric acid (Q27088673), (S)-3-aminoisobutyric acid zwitterion (Q106345499)
- C[C@@H]1C[C@@H](O)CC(=O)c2c(O)cc(O)cc2CC(=O)O1: Xestodecalactone C (Q59158596), 5,6,9,10,11,12-Hexahydro-1,3,10beta-trihydroxy-8alpha-methyl-8H-7-oxabenzocyclodecene-6,12-dione (Q105190508)
- C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13: Cimigenone (Q72460865), Cimigenol-3-one (Q104399178)
- C[C@@H]1Cc2c(c(O)c3c(C4C(=O)C(=O)C(=O)c5c4cc4c(c5O)[C@@H](C)O[C@H](C)[C@H]4O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3c2O)[C@@H](C)O1: (1R,3R,4S)-6-[(1R,3R)-5,10-dihydroxy-1,3-dimethyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H-naphtho[2,3-c]pyran-9-yl]-4,7,10-trihydroxy-1,3-dimethyl-1H,3H,4H-naphtho[2,3-c]pyran-8,9-dione (Q105160313), (1R,3R,4S)-6-[(1R,3R)-5,10-dihydroxy-1,3-dimethyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H-naphtho[2,3-c]pyran-9-yl]-4,10-dihydroxy-1,3-dimethyl-1H,3H,4H,6H-naphtho[2,3-c]pyran-7,8,9-trione (Q111725546)
- C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O: Forsythoside F (Q72479529), (2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (Q105338808)
- C[C@@]12C[C@]3(CC(C1)(CC(C2)(C3)Br)N)C: bromomemantine (Q27458518), (5S,7R)-3-bromo-5,7-dimethyladamantan-1-amine (Q76801395)
- C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C: Mogroside VI (Q72492569), LTDANPHZAHSOBN-QYTMKXBISA-N (Q110186856)
- C[C@H](CN)C(=O)O: (R)-3-aminoisobutyric acid (Q27101849), (R)-3-aminoisobutyric acid zwitterion (Q106345514)
- C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O: Buddleoglucoside IV (Q72513729), Buddlejasaponin IV (Q104402286)
- C[C@H]1O[C@H](C)[C@@H](O)c2cc3c(c(O)c21)C(=O)C(=O)C(=O)C3c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(O)c3c(c(O)c12)[C@@H](C)O[C@H](C)[C@H]3O: (1R,3R,4S)-4,7,10-trihydroxy-1,3-dimethyl-6-[(1R,3R,4S)-4,5,10-trihydroxy-1,3-dimethyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H-naphtho[2,3-c]pyran-9-yl]-1H,3H,4H-naphtho[2,3-c]pyran-8,9-dione (Q105131826), (1R,3R,4S)-4,10-dihydroxy-1,3-dimethyl-6-[(1R,3R,4S)-4,5,10-trihydroxy-1,3-dimethyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H-naphtho[2,3-c]pyran-9-yl]-1H,3H,4H,6H-naphtho[2,3-c]pyran-7,8,9-trione (Q111725545)
- C[C@H]1O[C@H](C)[C@H](O)c2cc3c(c(O)c21)C(=O)C(=O)C(=O)C3c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(O)c3c(c(O)c12)[C@@H](C)O[C@H](C)[C@@H]3O: (1R,3R,4R)-4,7,10-trihydroxy-1,3-dimethyl-6-[(1R,3R,4R)-4,5,10-trihydroxy-1,3-dimethyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H-naphtho[2,3-c]pyran-9-yl]-1H,3H,4H-naphtho[2,3-c]pyran-8,9-dione (Q105131827), (1R,3R,4R)-4,10-dihydroxy-1,3-dimethyl-6-[(1R,3R,4R)-4,5,10-trihydroxy-1,3-dimethyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H-naphtho[2,3-c]pyran-9-yl]-1H,3H,4H,6H-naphtho[2,3-c]pyran-7,8,9-trione (Q111725547)
- C[C@]1(C(=O)O)CCCCN1: 2-Methyl-2-(2R)-piperidinecarboxylic acid (Q72495779), 2-Methylpiperidine-2-carboxylic acid (Q82984005)
- C[C@]1([C@H]2CC[C@@H]([C@]1(C)C(=O)O)O2)C(=O)O: cantharidic acid (Q5033742), (1R,2R,3S,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid (Q72911787)
- C[N+](C)(C)C/C=C/C(=O)O: 4-(trimethylammonio)but-2-enoic acid (Q27121377), (E)-4-(trimethylammonio)but-2-enoic acid (Q106010024)
- C[N+](C)(C)C/C=C/C(=O)[O-]: 4-(trimethylammonio)but-2-enoate (Q24644558), (E)-4-(trimethylammonio)but-2-enoate (Q24644559)
- C[N+](C)(C)CCOP([O-])(=O)OC[C@@H](CO[*])O[*]: acyl-sn-glycero-3-phosphocholine (Q74805476), oleoyl-sn-glycero-3-phosphocholine (Q75006792)
- C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O: S-adenosyl-L-methionine (Q56071634), S-Adenosylmethionine(1+, zwitterion) (Q106314841)
- C\1=C(C(=O)NC(=O)/C1=C/2\C=C(C(=O)NC2=O)N)N: indigoidine (Q11712142), 3-amino-5-(5-amino-2,6-dioxopyridin-3-ylidene)pyridine-2,6-dione (Q108730910)
- C\1=C(C(=O)O/C1=C/C(=O)O)Cl: cis-2-chloro-4-carboxymethylenebut-2-en-1,4-olide (Q27098586), 2-chloro-4-carboxymethylenebut-2-en-1,4-olide (Q27117382)
- C\1=CC(=O)O/C1=C/C(=O)O: cis-4-carboxymethylenebut-2-en-4-olide (Q27103036), 4-carboxymethylenebut-2-en-4-olide (Q27108908)
- Cl.N[C@H](CC(=O)O)Cc1ccccc1F: (S)-3-Amino-4-(2-fluorophenyl)butyric acid hydrochloride (Q72437318), (S)-3-Amino-4-(2-fluorophenyl)butyric acid hydrochloride (Q72437327)
- Cl.N[C@H]1C=C[C@@H](CO)C1: (1S,4R)-(4-Aminocyclopent-2-enyl)methanol hydrochloride (Q72435454), [(1S,4R)-4-Aminocyclopent-2-en-1-yl]methanol--hydrogen chloride (1/1) (Q81986143)
- Clc1ccc([C@H]2C[C@@H]3CC[C@H]2N3)cn1: (-)-epibatidine (Q27077200), epibatidine (Q110174342)
- N=C(N)NCCC[C@H](NCCC(=O)O)C(=O)O: N(2)-(2-carboxyethyl)-L-arginine (Q96581705), N(2)-(2-carboxyethyl)-L-arginine dizwitterion (Q106345697)
- N=C1NC(=O)/C(=C2/CCNC(=O)c3[nH]ccc32)N1: 4-(2-Amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-4,5,6,7-tetrahydro-pyrrolo[2,3-c]azepin-8(1H)-one (Q72436050), (4E)-4-(2-amino-4-oxo-1H-imidazol-5-ylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one (Q105137171)
- NC(=O)N1c2ccccc2[C@@H](O)[C@H](O)c2ccccc21: 10,11-trans-dihydroxy-10,11-dihydrocarbamazepine (Q106030523), (10R,11R)-dihydroxy-10,11-dihydrocarbamazepine (Q106030524)
- NC(=O)N[C@@H](CC(O)=O)C(O)=O: DL-N-carbamoylaspartic acid (Q2823324), N-carbamoyl-L-aspartic acid (Q55177068)
- NC(=O)OC[C@H](N)C(=O)O: O-carbamoyl-L-serine (Q96583202), O-carbamoyl-L-serine zwitterion (Q106345702)
- NC[C@H]1CC[C@H](C(=O)Oc2ccc(CCC(=O)O)cc2)CC1: cetraxate (Q96606171), cetraxate zwitterion (Q106345704)
- N[C@@H](Cc1ccccc1)C(=O)O: (2S)-2-Amino-3-phenylpropanoic acid (Q72440822), L-phenylalanine zwitterion (Q106345467)
- N[C@@H](Cn1ccc(=O)c(O)c1)C(=O)O: 3-(3,4-dihydroxypyridin-1-yl)-L-alanine (Q96623353), L-mimosine zwitterion (Q106345625)
- N[C@H]1C(C(=O)O)=CC=C[C@@H]1O: (2S,3S)-2,3-dihydro-3-hydroxyanthranilic acid (Q96621236), (2S,3S)-2,3-dihydro-3-hydroxyanthranilic acid zwitterion (Q106345707)
- Nc1ncnc2c1ncn2[C@H]1C=C[C@@H](CO)C1: 2-Cyclopentene-1-methanol, 4-(6-amino-9H-purin-9-yl)-, cis-(1)- (Q83018627), 2-Cyclopentene-1-methanol, 4-(6-amino-9H-purin-9-yl)-, (1S,4R)- (Q90513846)
- Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OC([*])=O)[C@@H](O)[C@H]1O: fatty acyl-AMP(1-) (Q74507823), 5'-acylphosphoadenosine(1-) (Q75033317)
- O(P(OC[C@H]1O[C@@H](N2C=3N=CN=C(N)C3N=C2)[C@@H]([C@@H]1O)O)(=O)[O-])C(*)=O: long-chain fatty acyl-AMP(1-) (Q74655219), medium-chain fatty acyl-AMP(1-) (Q75078546)
- O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC[C@@H](CO*)O*)O)O)O)CO: 3-(beta-D-galactosyl)-monododecanoyl-sn-glycerol (Q74655222), 3-(beta-D-galactosyl)monooctanoyl-sn-glycerol (Q75014830), 3-(beta-D-galactosyl)mono(long-chain acyl)-sn-glycerol (Q75035807)
- O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1: 3,4,5-Tricaffeoylquinic acid (Q72510161), (1S,3R,4S,5R)-3,4,5-tris({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid (Q105188646)
- O=C(/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)cc1)c1ccc(O)cc1O: Isoliquiritin apioside (Q72485416), (2E)-3-(4-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one (Q105289082)
- O=C(O)C1=c2[nH]c3ccccc3c2=CC(C(=O)O)=c2[nH]c3ccccc3/c2=C/1: (14Z)-11,22-diazapentacyclo[13.7.0.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosa-1,3,5,7,9,12,14,16,18,20-decaene-2,13-dicarboxylic acid (Q105137184), (14Z)-11,22-diazapentacyclo[13.7.0.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosa-1,3,5,7,9,12,14,16,18,20-decaene-2,13-dicarboxylic acid (Q110127270)
- O=C(O)[C@@H](O)Cc1c[nH]c2ccccc12: L-Indole-3-lactic acid (Q72483014), (R)-Indole-3-lactic acid (Q72483018)
- O=C(O)[C@@H]1CC[C@@H](O)CN1: (2S,5R)-trans-5-Hydroxypiperidine-2-carboxylic acid (Q72481228), (2S,5R)-5-hydroxypiperidine-2-carboxylic acid (Q105238374)
- O=C(O)[C@@H]1CC[C@H](O)CN1: (2S,5S)-5-Hydroxy-2-piperidinecarboxylic acid (Q72481237), (2S,5S)-5-hydroxypiperidine-2-carboxylic acid (Q105238377)
- O=C(O)[C@H]1C[C@H](O)CN1: 4-Chloro-6-methoxy-2-methyl-3-propylquinoline (Q72453180), trans-4-hydroxyproline (Q105211602)
- O=C([O-])/C=C\C(=O)[O-].[CH2]CCC.[CH2]CCC.[Sn+2]: Dibutyltin maleate (Q72465336), Dibutyltin maleate polymer (Q72465339)
- O=C1/C(=C/c2ccc(O)cc2)COc2cc(O)ccc21: 7-Hydroxy-3-(4-hydroxybenzylidene)chroman-4-one (Q72484381), (3E)-7-hydroxy-3-[(4-hydroxyphenyl)methylidene]-2H-1-benzopyran-4-one (Q104971223)
- O=C1CNC(=O)[C@H](Cc2ccccc2)N1: Cyclo(glycyl-L-phenylalanyl) (Q72459513), (3S)-3-benzyl-3,6-dihydropyrazine-2,5-diol (Q105282369)
- O=C1C[C@@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)ccc21: Robtin (Q72506749), (2S)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one (Q105248514)
- O=C1C[C@H]2C[C@@H](O1)[C@H](O)[C@H](c1ccccc1)O2: 9-Deoxygoniopypyrone (Q72462235), (1R,5R,7S,8S)-8-hydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one (Q105381252)
- O=C1NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)[C@H](O)CNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C/C1=N/O: Bastadin 10 (Q72444900), (12Z,25E,29S)-5,21,33,36-tetrabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2¹⁴,¹⁷.1³,⁷.1¹⁹,²³]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,30,33,36-tetradecaene-4,11,20,26,29-pentol (Q105345782)
- O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12: Apigenin 5-O-glucoside (Q72443565), Apigenin 5-O-beta-D-glucopyranoside (Q105374556)
- OC[C@@H]([C@@H](*)O)NC(=O)*: N-(very-long-chain fatty acyl)-sphingoid base (Q75007599), N-(ultra-long-chain-acyl)-sphingoid base (Q75031846)
- OC[C@H](COP([O-])([O-])=O)OC([*])=O: 2-16:1-lysophosphatidate(2-) (Q74514669), 2-acyl-sn-glycero-3-phosphate(2-) (Q75005048)
- O[C@H]([*])C([O-])=O: (2R)-2-hydroxy monocarboxylic acid anion (Q74427292), (2R)-2-hydroxy fatty acid anion (Q75027715)
- Oc1n/c(=C\c2ccccc2)c(O)n/c1=C\c1ccccc1: piperafizine B (Q6076567), (3Z,6Z)-bis(phenylmethylidene)pyrazine-2,5-diol (Q104397194)
- [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)*)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O: ultra-long-chain fatty acyl-CoA(4-) (Q74505137), short chain fatty acyl-CoA(4-) (Q74801224), medium-chain fatty acyl-CoA(4-) (Q75026542), very long-chain fatty acyl-CoA(4-) (Q75028424), very long-chain acyl-CoA(4-) (Q75082800)
- [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)CC(=O)*)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O: 3-oxoacyl-CoA(4-) (Q74366064), long-chain 3-oxo-fatty acyl-CoA(4-) (Q74711345), very long-chain 3-oxoacyl-CoA(4-) (Q75034263)
- [C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)OP(OC[C@@H](COC)OC)(=O)O)O: lysophosphatidyl-1D-myo-inositol (Q114826048), alkyl,acyl-sn-glycero-3-phospho-1D-myo-inositol (Q114826059)
- [C@H](C#N)(O)*: monosubstituted aliphatic (S)-cyanohydrin (Q74552314), aromatic (S)-hydroxynitrile (Q75034530)
- [C@H]1(O)[C@@H](OC[C@H]2O[C@H]([C@@H]([C@H]([C@H]2O)O)O)OC[C@@H](CO*)O*)O[C@H](CO)[C@@H]([C@@H]1O)O: 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-monododecanoyl-sn-glycerol (Q74639586), 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-mono(long-chain acyl)-sn-glycerol (Q74805450), 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-monoacyl-sn-glycerol (Q75032027)
- [C@](CO*)(O*)([H])COP(OCC[N+](C)(C)C)(=O)[O-]: lysophosphatidylcholine (Q410548), linoleoyl-sn-glycero-3-phosphocholine (Q74505131), alpha-linolenoyl-sn-glycero-3-phosphocholine (Q74552348), ricinoleoyl-sn-glycero-3-phosphocholine (Q74569158), [(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine (Q74705947)
- [Fe+2].O[C@H]([C@@H](O)C([O-])=O)[C@H](O)[C@H](O)CO.[O-]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO: iron(II) gluconate (Q421291), iron(II) 2,3,4,5,6-pentahydroxyhexanoate (Q72478236)
- [H][C@@](COC([*])=O)(COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]1O)OC([*])=O: phosphatidylinositol 5-phosphate (Q3381501), 1-phosphatidyl-1D-myo-inositol 5-phosphate (Q130305192)
- [H][C@@](COC([*])=O)(COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)OC([*])=O: 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate (Q28797894), PIP2[4',5'] (Q130305193)
- [H][C@@](COC([*])=O)(COP(O)(=O)O[C@@H]1[C@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)OC([*])=O: 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate (Q28797898), PIP3[3',4',5'] (Q130305209)
- [H][C@@](COC([*])=O)(COP(O)(=O)O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H]1O)OC([*])=O: 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate (Q38135184), PIP2[3',5'] (Q130305201)
- [O-]P([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O: 1,2-diacyl-sn-glycerol 3-phosphate(2-) (Q75078539), 1-acyl-2-hexadecenoyl-sn-glycero-3-phosphate(2-) (Q75078547)
"Single value" violations
[edit]Violations count: 105
- hydroxocobalamin (Q73972): [OH-].[Co+3].C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2[N-]C1=C(C)C3=NC(=CC4=NC(=C(C)C5=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)C(C)(C)[C@@H]3CCC(N)=O)OP([O-])(=O)O[C@@H]6[C@@H](CO)O[C@@H]([C@@H]6O)N7C=NC8=C7C=C(C)C(C)=C8, [H]O[Co+]N1\C2=C(C)/C3=N/C(=C\C4=N\C(=C(C)/C5=N[C@@](C)([C@@]1([H])[C@H](CC(=O)N)[C@@]2(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO)N1C=NC2=CC(C)=C(C)C=C12)[C@@](C)(CC(N)=O)[C@@H]5CCC(=O)N)\[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)/C(C)(C)[C@@H]3CCC(=O)N
- beta-Tocopherol (Q155667): CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(O)=CC(C)=C2O1, C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@]2(C)OC1=C(C)C=C(O)C(C)=C1CC2
- cyanocobalamin (Q252251): CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3], [Co+3].[C-]#N.C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2[N-]C1=C(C)C3=NC(=CC4=NC(=C(C)C5=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)C(C)(C)[C@@H]3CCC(N)=O)OP([O-])(=O)O[C@@H]6[C@@H](CO)O[C@@H]([C@@H]6O)N7C=NC8=C7C=C(C)C(C)=C8
- acarbose (Q338005): C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO, C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]3C=C(CO)[C@@H](O)[C@H](O)[C@H]3O
- aldrin (Q409054): ClC4(Cl)[C@@]2(Cl)C(/Cl)=C(/Cl)[C@]4(Cl)[C@@H]3[C@@H]\1C[C@@H](/C=C/1)[C@H]23, C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2[C@]4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl
- digitonin (Q410968): [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])[C@H](O)[C@]3([H])O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)C[C@@H](O)[C@@H](C2)O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O, C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C
- dihydrotestosterone (Q411054): [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C, C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C
- salinomycin (Q411909): CC[C@H]([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@@]3(O[C@@]4(CC[C@](C)(O4)[C@H]5CC[C@](O)(CC)[C@H](C)O5)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)C(O)=O, O=C([C@H]([C@H]([C@@H]([C@]3([H])O[C@]([C@@H](CC)C(O)=O)([H])CC[C@@H]3C)C)O)C)[C@H](CC)[C@@]([C@@H](C)C[C@H]2C)([H])O[C@]12O[C@@]4(CC[C@]([C@]5([H])O[C@@H](C)[C@](CC)(O)CC5)(C)O4)[C@H](O)C=C1
- (6E)-nerolidol (Q415421): CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C, C=CC(C)(O)CC/C=C(\C)CCC=C(C)C
- α-D-glucose-1-phosphate (Q418865): C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O, OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
- erythro-5-hydroxy-L-lysine (Q419226): NC[C@H](O)CC[C@H](N)C(O)=O, C(C[C@@H](C(=O)O)N)[C@H](CN)O
- Betanin (Q420138): c1c2c(cc(c1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)N([C@@H](C2)C(=O)O)/C=C/C4=CC(=N[C@@H](C4)C(=O)O)C(=O)O, OCC1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](OC2=C(O)C=C(/[N+]([C@@H]([C@]([O-])=O)C4)=C/C=C3\C[C@H]([C@](O)=O)NC(C(O)=O)=C3)C4=C2)O1
- oxaliplatin (Q422327): [Pt++].[O-]C(=O)C([O-])=O.N[C@@H]1CCCC[C@H]1N, O=C1O[Pt]2(N[C@@H]3CCCC[C@H]3N2)OC1=O
- eplerenone (Q423804): COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]34O[C@@H]3C[C@@]5(C)[C@@H](CC[C@@]56CCC(=O)O6)[C@H]14, C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC
- domoic acid (Q424386): C[C@H](\C=C\C=C(\C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O)C(O)=O, C/C(=C\C=C\[C@H](C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
- trovafloxacin (Q544393): N[C@H]1[C@@H]2CN(C[C@H]12)C3=NC4=C(C=C3F)C(=O)C(=CN4C5=CC=C(F)C=C5F)C(O)=O, N[C@@H]1[C@H]2CN(C[C@@H]12)c3nc4N(C=C(C(=O)O)C(=O)c4cc3F)c5ccc(F)cc5F
- tilmicosin (Q722387): CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]([C@H]2O)N(C)C)[C@@H](CCN3C[C@@H](C)C[C@@H](C)C3)C[C@@H](C)C(=O)\C=C\C(C)=C\[C@@H]1CO[C@@H]4O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]4OC, O=C4\C=C\C(=C\[C@H](CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC)[C@H](OC(=O)C[C@@H](O)[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](N(C)C)[C@H]2O)C)[C@@H](CCN3C[C@H](C)C[C@H](C)C3)C[C@H]4C)C)CC)C
- moxidectin (Q903824): CO\N=C1/C[C@]2(C[C@@H]3C[C@@H](C\C=C(C)\C[C@@H](C)\C=C\C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@@H]([C@H]1C)C(\C)=C\C(C)C, C[C@@H]1C/C(=C/C[C@@H]2C[C@@H](C[C@@]3(O2)C/C(=NOC)/[C@@H]([C@H](O3)/C(=C/C(C)C)/C)C)OC(=O)[C@@H]4C=C([C@H]([C@@H]5[C@]4(/C(=C/C=C1)/CO5)O)O)C)/C
- mangiferin (Q1074417): OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C2=C(O)C3=C(OC4=C(C=C(O)C(O)=C4)C3=O)C=C2O, c1c2c(cc(c1O)O)oc3cc(c(c(c3c2=O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
- dolasetron (Q1829318): O=C(O[C@H]1C[C@@H]2C[C@@H]3C[C@@H](C1)N2CC3=O)C4=CNC5=C4C=CC=C5, O=C(O[C@@H]1C[C@@H]2C[C@H]3C[C@H](C1)N2CC3=O)c4c[nH]c5ccccc45
- selamectin (Q2267471): CO[C@H]1C[C@H](O[C@H]2[C@@H](C)\C=C\C=C3/CO[C@@H]4\C(=N/O)C(C)=C[C@@H](C(=O)O[C@H]5C[C@@H](C\C=C2/C)O[C@@]6(CC[C@H](C)[C@H](O6)C7CCCCC7)C5)[C@]34O)O[C@@H](C)[C@@H]1O, C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4CO[C@H]5[C@@]4([C@@H](C=C(/C5=N/O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)C)O[C@@H]1C7CCCCC7
- trabectedin (Q2637746): CC1=C(C(=C2[C@@H]3[C@@H]4[C@H]5C6=C([C@@H](N4[C@H]([C@@H](N3C)CC2=C1)O)COC(=O)[C@@]7(CS5)C8=CC(=C(C=C8CCN7)O)OC)C9=C(C(=C6OC(=O)C)C)OCO9)O)OC, COc1cc2c(cc1O)CCN[C@@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H](O)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4
- O-phospho-L-serine (Q2701649): N[C@@H](COP(O)(O)=O)C(O)=O, O=P(O)(O)OC[C@@H](C(=O)O)N
- teicoplanin (Q2731762): CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(Oc6cc3cc(Oc3ccc1cc3Cl)c6O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC([*])=O)c(Cl)c5)NC(=O)[C@H](N)c1ccc(O)c(Oc3cc(O)cc4c3)c1)c1ccc(O)c(c1)-c1c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc(O)cc1[C@H](NC2=O)C(O)=O, CCCCCCCCCC(=O)N[C@H]1[C@H](Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(c(Cl)c5)O3)NC(=O)[C@H](N)c3ccc(O)c(c3)Oc3cc(O)cc4c3)c3ccc(O)c(c3)-c3c(OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc3[C@@H](C(=O)O)NC2=O)O[C@H](CO)[C@@H](O)[C@@H]1O
- 3-methylcrotonyl-CoA (Q2816001): CC(=CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)C, CC(=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C
- cefpirome (Q2943814): CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[N+]3=C4CCCC4=CC=C3)=C(N2C1=O)C([O-])=O)C5=CSC(N)=N5, CO/N=C(/c1csc(n1)N)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[n+]4cccc5c4CCC5)C(=O)[O-]
- copper gluconate (Q3109285): [Cu++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O, C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Cu+2]
- phosphatidyl (3,5) inositol biphosphate (Q3138518): CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC, [H][C@@](COC([*])=O)(COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC([*])=O
- Methyllycaconitine (Q3333710): CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CC(C)C3=O)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC, CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34[C@H]1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC
- 1-phosphatidyl-1D-myo-inositol 4-phosphate (Q3381500): [H][C@@](COC([*])=O)(COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@H]1O)OC([*])=O, C([C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC=O)OC=O
- cloprednol (Q3680915): C[C@]12C[C@H](O)[C@H]3[C@@H](C=C(Cl)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO, C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C=C(C4=CC(=O)C=C[C@]34C)Cl)O
- dibekacin (Q3706873): NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1, C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N
- levopropoxyphene (Q3831365): CCC(=O)O[C@](CC1=CC=CC=C1)([C@@H](C)CN(C)C)C2=CC=CC=C2, CCC(=O)O[C@@](Cc1ccccc1)(c2ccccc2)[C@@H](C)CN(C)C
- rolitetracycline (Q3940320): CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)C4=C(C=CC=C4O)[C@@]3(C)O)=C(O)[C@]2(O)C(=O)C(C(=O)NCN5CCCC5)=C1O, CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN4CCCC4)C(=O)c5c(O)cccc5[C@@]3(C)O
- zeranol (Q4024215): C[C@H]1CCC[C@H](O)CCCCCC2=CC(O)=CC(O)=C2C(=O)O1, C[C@H]1CCC[C@@H](CCCCCc2cc(cc(c2C(=O)O1)O)O)O
- BI 811283 (Q4835624): FC(F)(F)C(C=N1)=C(N[C@@]2(CCC[C@@]2(C(NC(C)C)=O)[H])[H])N=C1NC3=CC=C(C(N(C)C4CCN(C)CC4)=O)C=C3, CC(C)NC(=O)[C@H]1CCC[C@H]1NC2=NC(=NC=C2C(F)(F)F)NC3=CC=C(C=C3)C(=O)N(C)C4CCN(CC4)C
- chlormadinone acetate (Q5102980): CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O, CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)Cl)C)OC(=O)C
- clocortolone (Q5134843): C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO, [H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
- Deslorelin (Q5264591): CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=C5C=CC=C6)NC(=O)[C@H](CC7=CNC=N7)NC(=O)[C@@H]8CCC(=O)N8, CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)[C@H](Cc7c[nH]cn7)NC(=O)[C@@H]8CCC(=O)N8
- fidaxomicin (Q5446672): CC[C@H]1/C=C(/[C@H](C/C=C/C=C(/C(=O)O[C@@H](C/C=C(/C=C(/[C@@H]1O[C@H]2[C@H]([C@H]([C@@H](C(O2)(C)C)OC(=O)C(C)C)O)O)\C)\C)[C@@H](C)O)\CO[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)O)Cl)CC)O)OC)O)\C, CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O[C@H]1[C@H](O)[C@H](OC)[C@H](OC/C2=C\C=C\C[C@H](O)/C(C)=C/[C@H](CC)[C@@H](O[C@@H]3OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]3O)/C(C)=C/C(C)=C/C[C@@H]([C@@H](C)O)OC2=O)O[C@@H]1C
- Ganirelix (Q5521314): CCNC(NCC)=NCCCC[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC2=CC=CN=C2)NC(=O)[C@@H](CC3=CC=C(Cl)C=C3)NC(=O)[C@@H](CC4=CC5=C(C=CC=C5)C=C4)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN=C(NCC)NCC)C(=O)N6CCC[C@H]6C(=O)N[C@H](C)C(N)=O, CCNC(NCC)=NCCCC[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN=C(NCC)NCC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
- ibutamoren (Q5984942): CC(C)(N)C(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N2CCC3(CN(C4=CC=CC=C34)S(C)(=O)=O)CC2, CC(C)(C(=O)N[C@H](COCc1ccccc1)C(=O)N2CCC3(CC2)CN(c4c3cccc4)S(=O)(=O)C)N
- micronomicin (Q6839784): CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1, C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CNC)N)N)N)O
- naldemedine (Q6960846): CC(C)(NC(=O)C1=C(O)[C@@H]2OC3=C(O)C=CC4=C3[C@@]25CCN(CC6CC6)[C@H](C4)[C@]5(O)C1)C7=NC(=NO7)C8=CC=CC=C8, CC(C)(c1nc(no1)c2ccccc2)NC(=O)C3=C([C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8)O
- anisotropine methylbromide (Q7076760): [Br-].CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C, [Br-].CCCC(CCC)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C
- (-)-homoharringtonine (Q7089373): CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O, COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2C3=CC4=C(OCO4)C=C3CCN5CCC[C@]25C=C1OC
- Org-25935 (Q7101732): CN(C[C@H]1CCC2=C([C@H]1C3=CC=CC=C3)C=CC(=C2)OC)CC(=O)O, CN(C[C@H]1CCc2cc(ccc2[C@H]1c3ccccc3)OC)CC(=O)O
- rimexolone (Q7334443): CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C, CCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C)C
- technetium (99mTc) exametazime (Q7692225): C[C@@H](NCC(CN[C@@H](/C(=N/O)/C)C)(C)C)/C(=N/O)/C.C[C@H](NCC(CN[C@H](/C(=N/O)/C)C)(C)C)/C(=N/O)/C.[99Tc].[99Tc], C[C@@H](NCC(CN[C@@H](/C(=N/O)/C)C)(C)C)/C(=N/O)/C.[99Tc], C/C(=N\O)[C@@H](C)NCC(C)(C)CN[C@H](C)/C(C)=N/O.[99Tc]
- Tiamulin (Q7800111): CCN(CC)CCSCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@]23CCC(=O)[C@H]2[C@@]1(C)[C@H](C)CC3, CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C
- vernolepin (Q7922030): C=C[C@]12C[C@@H]([C@@H]3[C@@H]([C@H]1C(=C)C(=O)OC2)OC(=O)C3=C)O, C=C[C@]12COC(=O)C(=C)[C@@H]1[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](O)C2
- α-santalol (Q10859742): C/C(=C/CC[C@@]1(C2C[C@H]3C1([C@H]3C2)C)C)/CO, C/C(=C(/CC[C@]1(C)[C@@]2(CC3(C(C2)([C@]31C)[H])[H])[H])\[H])/CO
- amdinocillin (Q13019044): CC1(C)S[C@@H]2[C@H](N=CN3CCCCCC3)C(=O)N2[C@H]1C(O)=O, CC1(C)S[C@@H]2[C@H](\N=C\N3CCCCCC3)C(=O)N2[C@H]1C(=O)O
- aldehydo-D-glucose (Q21036645): C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O, [H]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
- 4-ethoxy-1,1,1-trifluoro-3-buten-2-one (Q22668720): CCO/C=C/C(=O)C(F)(F)F, C(/C=C/OCC)(C(F)(F)F)=O
- L-topaquinone (Q24063673): C(C1=CC(C(=CC1=O)O)=O)[C@@](C(=O)O)(N)[H], C1=C(C(=CC(=O)C1=O)O)C[C@@H](C(=O)O)N
- ICI 118551 (Q27078025): CC1=C2CCCC2=C(C=C1)OC[C@@H]([C@H](C)NC(C)C)O, CC1=C2CCCC2=C(C=C1)OC[C@@H]([C@@H](C)NC(C)C)O
- cob(I)alamin (Q27098329): CC1=CC2=C(C=C1C)[N+](=CN2)[C@@]3([C@@]([C@@]([C@@](CO)(O3)[H])(OP(O)(=O)O[C@](C)(CN=C(CC[C@]4(C)[C@@](CC(=N)O)([C@@]5([C@@]6(C)[C@@](C)(CC(=N)O)[C@](CCC(=N)O)(C(=C(C)C=7[C@@](C)(CC(=N)O)[C@](CCC(=N)[O-])(C(=CC=8C(C)(C)[C@](CCC(=N)[O-])(C(=C(C)C4=N5)N8)[H])N7)[H])N6)[H])[H])[H])O)[H])[H])(O)[H])[H].[Co+], [H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP(O)(=O)O[C@@H]4[C@@H](CO)O[C@@H]([C@@H]4O)n4c[n+](c5cc(C)c(C)cc45)[Co-4]456N1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O
- 3-Oxo-5alpha-steroid (Q27105482): CC12CCCC1C3CC[C@H]4CC(=O)CCC4(C3CC2)C, C12C(C3C(C(CC3)*)(C)CC1)CC[C@@]4(C2(CCC(C4)=O)C)[H]
- 3-Oxo-5beta-steroid (Q27105483): CC12CCCC1C3CC[C@@H]4CC(=O)CCC4(C3CC2)C, C12C(C3C(C(CC3)*)(C)CC1)CC[C@]4(C2(CCC(C4)=O)C)[H]
- 3beta-Hydroxysterol (Q27105496): C1CC2CCC3C4CC[C@@H](CC4CCC3C2C1)O, C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CC[C@@H](C4)O)C
- haemanthamine (Q27106819): CO[C@H]1C[C@H]2[C@@]3(C=C1)[C@H](CN2CC4=CC5=C(C=C34)OCO5)O, CO[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2O)[C@H]3C1)OCO5
- taraxasterol (Q27108380): C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CCC1=C)C)C)C)(C)C)O)C, C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C
- k-Strophanthoside (Q27108663): C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O, CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
- gamma-Glu-Ala (Q27122149): C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N, C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O
- 1D-myo-inositol 3-phosphate(2-) (Q27125760): [C@]1([C@@]([C@@]([C@@]([C@]([C@@]1(O)[H])(O)[H])(OP([O-])([O-])=O)[H])(O)[H])(O)[H])(O)[H], O[C@H]1[C@H](O)[C@H](O)[C@H](OP([O-])([O-])=O)[C@@H](O)[C@@H]1O
- colistin A (Q27126429): CC[C@@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)[C@@H](C)O, CC[C@@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O
- shizukaol C (Q27138126): C/C(=C\C(=O)OC)/C[C@]1([C@H]2C[C@H]2[C@]3([C@@H]1CC4=C(C(=O)O[C@]45[C@H]3CC6=C7[C@@H]5/C(=C(\C)/C(=O)OC)/C(=O)[C@@H]([C@]7([C@H]8[C@@H]6C8)C)O)CO)C)O, C/C=C(\C)C(=O)OC[C@]1(O)[C@H]2C[C@H]2[C@]2(C)[C@@H]3CC4=C5[C@H](/C(=C(\C)C(=O)OC)C(=O)[C@H](O)[C@@]5(C)[C@@H]5C[C@H]45)[C@@]34OC(=O)C(CO)=C4C[C@@H]12
- (R)-nafenopin (Q27147243): CC(C)(C(=O)O)OC1=CC=C(C=C1)[C@H]2CCCC3=CC=CC=C23, O(C(C(O)=O)(C)C)C1=CC=C([C@@H]2C=3C(CCC2)=CC=CC3)C=C1
- valsartan benzyl ester (Q27255284): CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)OCC4=CC=CC=C4, CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)[C@@H](C(C)C)C(=O)OCc4ccccc4
- crl-42872 free base (Q27256572): C1CN(C(=O)CN1C2=CC=C(C=C2)C(=N)N)CC(=O)NC[C@@H](C(=O)O)NS(=O)(=O)C3=CC=CC=C3, c1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)CN2CCN(CC2=O)c3ccc(cc3)C(=N)N)C(=O)O
- dapagliflozin propanediol (Q27259342): CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl.C[C@@H](CO)O, CCOc1ccc(cc1)Cc2cc(ccc2Cl)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O.C[C@@H](CO)O
- didemnin c (Q27264273): CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)O)C)CC3=CC=C(C=C3)OC)C)CC(C)C)C)C(C)C)O, CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)O)C)Cc3ccc(cc3)OC)C)CC(C)C)C)C(C)C)O
- prednisolone sodium succinate (Q27269293): C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CCC(=O)[O-])O)CCC4=CC(=O)C=C[C@]34C)O.[Na+], C[C@@]12C=CC(C=C2CC[C@]3([C@@]4(CC[C@](C(COC(CCC(=O)[O-])=O)=O)([C@@]4(C)C[C@@]([C@@]31[H])(O)[H])O)[H])[H])=O.[Na-]
- (2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane (Q27466393): c1cc(cnc1)[C@H]2C3C[C@H]4C[C@@H](C3)CN2C4, [H][C@]1(CN2C3)C[C@]3([H])C[C@]([C@]2([H])C4=CN=CC=C4)([H])C1
- (S)-3,4-dihydroxybutyric acid (Q27701015): [C@H](CC(O)=O)(CO)O, O=C(O)C[C@H](O)CO
- keto-D-fructose 1,6-bisphosphate (Q28529691): C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O, [H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)C(=O)COP(O)(O)=O
- D-fructose-6-phosphate (open form) (Q32039197): OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O, C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O
- D-erythrose 4-phosphate (Q32039231): [H]C(=O)[C@H](O)[C@H](O)COP(O)(O)=O, C([C@H]([C@H](C=O)O)O)OP(=O)(O)O
- 10-epi-alpha-cadinol (Q67865683): CC1=C[C@H]2[C@@H](CC[C@]([C@@H]2CC1)(C)O)C(C)C, CC1=C[C@H]2[C@H](C(C)C)CC[C@](C)(O)[C@@H]2CC1
- pseudolaric acid B beta-D-glucoside (Q72503183): COC(=O)C1=CC[C@@]23CC[C@@H]([C@@](C)(/C=C/C=C(\C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC2=O)[C@@]3(OC(C)=O)CC1, COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC3=O
- Orfamide A (Q75063789): CCCCCCCCCCCC(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C, CCCCCCCCCCC[C@H](CC(N[C@@H](CC(C)C)C(N[C@H](CCC(O)=O)C(N[C@@H]1[C@H](OC([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@H](NC([C@H](NC1=O)[C@@H](C)CC)=O)CC(C)C)=O)CO)=O)CC(C)C)=O)CC(C)C)=O)CO)=O)C(C)C)=O)C)=O)=O)=O)O
- (2R)-3-[(3S,7R,11S)-3,7,11,15-tetramethylhexadecoxy]-2-[(3R,7R)-3,7,15-trimethylhexadecoxy]propan-1-ol (Q76620422): C[C@H](CCCCCCCC(C)C)CCC[C@@H](C)CCO[C@H](CO)COCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C, CC(C)CCCCCCC[C@@H](C)CCC[C@@H](C)CCO[C@H](CO)COCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C
- (2S)-2-amino-6-[6-(2-methoxyethoxy)hexanoylamino]hexanoic acid (Q76801932): COCCOCCCCCC(=O)NCCCC[C@@H](C(=O)O)N, COCCOCCCCCC(=O)NCCCC[C@H](N)C(=O)O
- acetylstachyflin (Q77425147): C[C@H]1CC[C@@H]2[C@]3([C@@]1(CC4=C(C=C5C(=C4O3)CNC5=O)O)C)CC[C@@H](C2(C)C)OC(=O)C, CC(=O)O[C@H]1CC[C@@]23Oc4c(c(O)cc5c4CNC5=O)C[C@]2(C)[C@@H](C)CC[C@H]3C1(C)C
- NSC227342 (Q82233469): CC[Sn](/C=C/C=C/OC)(CC)CC, [CH2]C.[CH2]C.[CH2]C.[CH]=C/C=C/OC.[Sn]
- Azaspiracid-3 (Q82842509): C[C@@H]1CN[C@@]2(C[C@@H]3O[C@]4(CC(=C)[C@H]5O[C@](O)(CC[C@@H]5C)[C@@H](O)[C@H]6C[C@@H]7O[C@@]8(CC[C@@]9(O[C@@H](CC=C9)\C=C\CCC(=O)O)O8)[C@@H](C)C[C@@H]7O6)C[C@H](C)C[C@@H](O4)[C@@H]3O2)[C@H](C)C1, C[C@H]1CC[C@@](O[C@@H]1C(=C)C[C@@]23C[C@@H](C[C@H](O2)[C@H]4[C@@H](O3)C[C@@]5(O4)[C@@H](C[C@@H](CN5)C)C)C)([C@H]([C@H]6C[C@H]7[C@@H](O6)C[C@@H]([C@@]8(O7)CC[C@@]9(O8)C=CC[C@H](O9)/C=C/CCC(=O)O)C)O)O
- 3,7,9-Trimethoxy-4,4a-dihydro-3H,6H-5,10b-ethanophenanthridin-8-ol (Q82899323): COc1cc2c(c(OC)c1O)CN1CCC23C=C[C@H](OC)C[C@@H]13, CO[C@@H]1C[C@@H]2C3(CCN2CC4=C(C(=C(C=C43)OC)O)OC)C=C1
- Brevifoliol (Q82903658): C=C1[C@@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O, CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H](C(=C)[C@H]3C[C@@]2(C[C@@H]1O)C(C)(C)O)O)OC(=O)C)C)OC(=O)C)OC(=O)C4=CC=CC=C4
- Cacalol (Q82925014): C[C@H]1CCCC2=C1C(=C3C(=COC3=C2O)C)C, Cc1coc2c(O)c3c(c(C)c12)[C@@H](C)CCC3
- Ancovenin (Q83118994): CC(C)C[C@H]1C(=O)N[C@@H]2CCSC[C@@H](C(=O)NC(=C)C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N1)CC4=CC=CC=C4)NC(=O)[C@H]5CSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CCSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N5)CCC(=O)N)C(C)C)N)C(=O)N[C@@H](CCCCN)C(=O)O)CC(=O)N)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC6=CNC7=CC=CC=C76)CO, C=C1NC(=O)[C@@H]2CS[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@@H](Cc3ccccc3)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSC[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](N)CS[C@@H](C)[C@@H](C(=O)N[C@H](CCCCN)C(=O)O)NC(=O)[C@@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC1=O)C(=O)N2
- 3-O-Acetylpomolic acid (Q104400127): CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@H]4[C@](C(=O)O)(CC[C@@H](C)[C@@]4(C)O)CC[C@]23C)C1(C)C, C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O
- BU72 (Q104668157): C[C@@]12C[C@@]34C=C[C@@]1([C@H]([C@@]35CCN([C@@H]4CC6=C5C=C(C=C6)O)C)N[C@H]2C7=CC=CC=C7)OC, CO[C@]12C=C[C@]34C[C@@]1(C)[C@H](N[C@H]2[C@@]35CCN(C)[C@@H]4Cc6ccc(O)cc56)c7ccccc7
- achilleol A (Q104915253): C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C, CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC[C@@H]1C(=C)CC[C@@H](C1(C)C)O)/C)/C)C
- Montrifoline (Q104966758): COc1cc2nc3occc3c(OC)c2cc1OC[C@@H](O)C(C)(C)O, O(C)C=1C=2C(N=C3C1C=CO3)=CC(OC)=C(OC[C@H](C(C)(C)O)O)C2
- JVIYCFXHNGBHFZ-LUVTTWBLSA-O (Q105135766): COc1cc(/C=C/[C]([O-])COCC2O[C@@H](O[O+]3OC=C[C@H]4[C@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)[C@@H]5O[C@]5(CO)[C@H]43)[C@@H](O)C(O)[C@H]2O)ccc1O, COc1cc(C=CC(=O)O[C@H]2[C@@H]3C=CO[O+](O[C@@H]4OC(COC[C]([O-])/C=C/c5ccc(O)c(OC)c5)[C@H](O)C(O)[C@@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)ccc1O
- (1R,2R,3R,4S)-1,3-bis(acetyloxy)-11-(diazyn-1-ium-1-yl)-2,4,10-trihydroxy-2-methyl-5-oxo-1H,3H,4H-benzo[b]fluoren-9-olate (Q105167982): CC(=O)O[C@@H]1C2=C([N+]#N)C3=C(O)c4c([O-])cccc4C(=O)C3=C2[C@H](O)[C@@H](OC(C)=O)[C@]1(C)O, CC(=O)O[C@@H]1C2=C(C3=C([O-])c4cccc(O)c4C(=O)C3=C2[N+]#N)[C@H](O)[C@@H](OC(C)=O)[C@]1(C)O
- PNIOKHKXUGHMAV-JGBUZTLDSA-N (Q105211956): CC[C@]1(OC2CC(OC)C(O)C(C)O2)[C@@H]([C@H]2C([O-])=C3C4=C(C(=O)c5c(O)ccc(O)c5C4=O)C([N+]#N)=C3[C@@H](O[C@H]3CC(O)[C@H](N(C)C)C(C)O3)[C@@]2(CC)OC2CC(OC)C(O)C(C)O2)C([O-])=C2C3=C(C(=O)c4c(O)ccc(O)c4C3=O)C([N+]#N)=C2[C@H]1OC1CC(O)C(N(C)C)C(C)O1, CC[C@@]1(OC2CC(OC)C(O)C(C)O2)[C@H](OC2CC(O)C(N(C)C)C(C)O2)C2=C(C(=O)[C@@H]1[C@H]1C(=O)C3=C(C([N+]#N)=c4c(O)c5c(c(O)c43)=C([O-])C=CC5=O)[C@@H](O[C@H]3CC(O)[C@H](N(C)C)C(C)O3)[C@@]1(CC)OC1CC(OC)C(O)C(C)O1)c1c(O)c3c(c(O)c1=C2[N+]#N)C(=O)C=CC=3[O-]
- (1R,2R,3R,4S)-1,2,3-Triacetyloxy-4,5,9-trihydroxy-2-methyl-10-oxo-3,4-dihydro-1H-benzo[b]fluorene-11-diazonium (Q105331539): CC(=O)O[C@@H]1C2=C(C3=C([O-])c4cccc(O)c4C(=O)C3=C2[N+]#N)[C@H](O)[C@@H](OC(C)=O)[C@]1(C)OC(C)=O, CC(=O)O[C@@H]1C2=C([N+]#N)C3=C(O)c4c([O-])cccc4C(=O)C3=C2[C@H](O)[C@@H](OC(C)=O)[C@]1(C)OC(C)=O
- Cannabisin D (Q105344662): COC1=C(C=CC(=C1)[C@H]2[C@@H](C(=CC3=CC(=C(C=C23)O)OC)C(=O)NCCC4=CC=C(C=C4)O)C(=O)NCCC5=CC=C(C=C5)O)O, COc1cc([C@@H]2c3cc(O)c(OC)cc3C=C(C(=O)NCCc3ccc(O)cc3)[C@H]2C(=O)NCCc2ccc(O)cc2)ccc1O
- diethyl DL-tartrate (Q106339114): CCOC(=O)[C@H]([C@@H](C(=O)OCC)O)O, CCOC(=O)[C@@H]([C@H](C(=O)OCC)O)O
- hopeahainol A (Q110949484): C1=CC(=CC=C1[C@@H]2[C@H](C3=C4[C@H]([C@@H](OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)[C@H]7[C@@H](C8=C(C=C(C=C8O)O)[C@H]9[C@@H](OC1=CC(=CC7=C91)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O, Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@@H]2[C@@H]2c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4[C@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O5)O[C@H]3c2ccc(O)cc2)cc1
- hyperelodione D (Q116482353): C/C(C)=C\CC/C(C)=C/CC1=C2[C@]3(O[H])[C@@]([C@]4(C/C=C(C)/CC/C=C(C)/C)C1=O)(O[H])[C@@](C(C)=CC4)([H])C[C@]3([H])C(C)(C)O2, C/C(C)=C/CC1=C2[C@]3(O[H])[C@@]([C@]4(C/C=C(C)/CC/C=C(C)/C)C1=O)(O[H])[C@@](C(C)=CC4)([H])C[C@]3([H])[C@](CC/C=C(C)/C)(C)O2
- kamptornamide (Q125564010): NCCC[C@H](NC([C@@H](NC([C@H](CCCNC(CCCCCCCCCCC)=O)N)=O)CCCN)=O)C(NCC(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]([C@@H]1C)C(N[C@@H](CC(N)=O)C(N[C@H](C(N(CCC2)[C@@H]2C(NCC(N[C@H](C(N3CCC[C@H]3C(NCC(N[C@H](C(N[C@@H](CC(N)=O)C(O)=O)=O)CS1)=O)=O)=O)C(C)C)=O)=O)=O)[C@@H](C)O)=O)=O)=O)[C@@H](C)CC)=O)C(C)C)=O)CCCN)=O)CO)=O)CO)=O)=O)=O, CCCCCCCCCCCC(=O)NCCC[C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H](CCCN)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1[C@H](S[C@H](NC(=O)CNC(=O)[C@H]2CCCN2C(=O)C[C@@H](NC(=O)CNC(=O)[C@H]3CCN(C3)C(=O)[C@H](NC(=O)CNC1=O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(=O)N)C(=O)O)C)N
- phaeornamide (Q125564184): NCC(N[C@@H](C[C@H](O)CNC(C[C@@H](O)CCCCCCC)=O)C(N[C@@H](CO)C(N[C@@H]1C(N[C@H](C(N[C@@H](C(C)C)C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CCSC)=O)[C@@H](C)CC)=O)[C@H](SC1)C)=O)=O)[C@H](O)C)=O)=O)=O)=O, CCCCCCCC(=O)CC(=O)NC[C@@H](O)C[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSC(C)[C@@H](C(=O)NC(C(=O)N[C@@H](CCSC)C(=O)O)[C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@H](C)O)NC1=O
"Format" violations
[edit]Violations count: 2
"Allowed qualifiers" violations
[edit]Violations count: 0
Properties statistics
[edit]| Accepted | Property | Usage |
|---|---|---|
| Yes | reason for deprecated rank (P2241) | 31 |
| Yes | reason for preferred rank (P7452) | 5 |
| Yes | intended subject of deprecated statement (P8327) | 4 |
| Yes | criterion used (P1013) | 1 |
"Scope" violations
[edit]Violations count: 0
"Item canonical SMILES (P233)" violations
[edit]Violations count: 830
- penicillin (Q12190)
- nucleoside (Q28734)
- ribonucleoside (Q34402)
- chlorophyll (Q43177)
- deuterium (Q102296)
- chitin (Q161219)
- cardiolipin (Q183453)
- cephalosporin antibiotic (Q271021)
- hyaluronic acid (Q337231)
- lysophosphatidylcholine (Q410548)
- carbapenem antibiotic (Q410897)
- cholesteryl ester (Q415555)
- glucosinolate (Q416883)
- nucleoside triphosphate (Q418533)
- sphingomyelin (Q423143)
- ceramides (Q424213)
- aldimine (Q496058)
- oligomycins (Q1076381)
- D-amino acid (Q1151249)
- acyl-CoA (Q2699537)
- galactocerebroside (Q2756638)
- sodium stibogluconate (Q2757844)
- beta-cyfluthrin (Q2930038)
- 1-acyl-sn-glycero-3-phosphoserine (Q3269787)
- ampicillin/flucloxacillin (Q4748440)
- prostaglandin E (Q4860325)
- bupropion/naltrexone (Q4998036)
- ethinylestradiol/norethisterone acetate (Q5401863)
- tobramycin/dexamethasone (Q6147773)
- Oxycodone/paracetamol (Q7115912)
- 3-oxoacyl-CoA (Q15233061)
- arginine vasopressin (Q21124841)
- 1,2-diacyl-sn-glycerol (Q22082904)
- 1-acyl-sn-glycero-3-phosphate (Q22082936)
- 1,2-diacyl-sn-glycero-3-phosphocholine (Q22082951)
- 3-sn-phosphatidyl-L-serine (R) (Q22083042)
- O-acylpseudotropine (Q25101403)
- cyanocobalamin co-57 (Q27231491)
- 11-ketodihydrotestosterone (Q28132011)
- artesunate/mefloquine (Q28163619)
- estradiol/progesterone (Q28209424)
- ethinylestradiol/norelgestromin (Q28209704)
- 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate (Q28797894)
- 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate (Q28797898)
- fatty acyl-CoA (Q33616143)
- glucosylceramide (Q35662896)
- ceramide-1-phosphate(2−) (Q35664941)
- 5-L-glutamyl amino acid (Q38133235)
- 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate (Q38133928)
- N-acylsphingosine 1-phosphate (Q38133997)
- 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate (Q38135184)
- nucleoside diphosphate (Q38135257)
- SM(d18:1) (Q39902949)
- 2-acyl-sn-glycero-3-phosphate (Q39904301)
- β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-acylsphingosine (R1) (Q39905739)
- α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosylceramide (Q39908595)
- galactosylceramide sulfate (Q40203884)
- D-glucosyl-N-acylsphingosine (Q40205789)
- N-acyl-β-D-galactosylsphingosine (R1) (Q40206202)
- 1-phosphatidyl-1D-myo-inositol 3-phosphate (R1,R2) (Q46220488)
- trans-3-enoyl-CoA (R1) (Q46224015)
- Ferrlecit (Q47521607)
- vitamin D1 (Q55344302)
- Acyl-CoA (4-) (Q60029459)
- N-acylsphingosine (Q60537688)
- 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate) (Q60560042)
- dihydroceramides (Q60560163)
- S-substituted glutathione (Q60573059)
- S-substituted L-cysteine (Q61954499)
- 3-oxo-fatty acyl-CoA(4−) (Q63143581)
- Amphoteronolide B (Q63212988)
- trisporic acids (Q64065213)
- angiotensin IV (Q66087802)
- 11beta-hydroxy steroid (Q72053575)
- L-alpha-amino acid anion (Q72178831)
- nucleoside-5'-monophosphate (Q73227255)
- D-glucoside (Q74173050)
- fatty acyl-CoA(4-) (Q74174417)
- (R)-triglyceride (Q74351918)
- ferrichrome (Q74353183)
- 3-oxoacyl-CoA(4-) (Q74366064)
- (2R)-2-hydroxy monocarboxylic acid anion (Q74427292)
- Ins-1-P-6-Man-1-2-Ins-1-P-Cer C(2-) (Q74427293)
- alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(3-) (Q74427298)
- 1-O-acyl-sn-glycero-3-phosphocholine (Q74427299)
- 3-(beta-D-galactosyl)-1,2-bis(long-chain acyl)-sn-glycerol (Q74428602)
- 2-acylphloroglucinol 1-O-beta-D-glucoside (Q74428603)
- mannosylinositol-1-phosphodihydroceramide(1-) (Q74504376)
- 1-acyl-2-linoleoyl-sn-glycero-3-phosphate(2-) (Q74504380)
- 1-stearoyl 2-acylglycerolipid (Q74504383)
- C24:1-CoA(4-) (Q74504391)
- N-(fatty acyl)-L-alpha-amino acid anion (Q74504393)
- 1,2-diacyl-3-O-(beta-D-Glc-(1->6)-beta-D-Glc-(1->6)-beta-D-Glc)-sn-glycerol (Q74504397)
- 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-1,2-bis(long-chain acyl)-sn-glycerol (Q74505117)
- linoleoyl-sn-glycero-3-phosphocholine (Q74505131)
- ultra-long-chain fatty acyl-CoA(4-) (Q74505137)
- 1-acyl-2-palmitoleoylglycerolipid (Q74505144)
- S-substituted N-acetyl-L-cysteinate (Q74505664)
- anthocyanidin 3-O-beta-D-glucoside 5-O-beta-D-[(6-O-(E)-4-coumaroyl)glucoside] betaine (Q74505677)
- (5Z,9Z,12Z,15Z)-octadecatetraenoyl-containing glycerolipid (Q74505680)
- long-chain 3-substituted propanoyl-CoA(4-) (Q74505684)
- nucleoside 3'-phosphate(2-) (Q74505690)
- short-chain (3S)-hydroxy fatty acyl-CoA(4-) (Q74505692)
- alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-Ceramide (Q74505694)
- aldehydo-N-acyl-D-glucosamine (Q74507816)
- mycolipenoyl-CoA(4-) (Q74507820)
- fatty acyl-AMP(1-) (Q74507823)
- 9-cis-epoxycarotenoid (Q74507826)
- 3-sn-phosphatidyl-L-serine(1-) (Q74507830)
- N-[omega-(9R,10R)-epoxy-(13R)-hydroxy-(11E)-octadecenoyloxy]acyl-beta-D-glucosyl-(1<->1)-sphingosine (Q74507833)
- 1-[(15Z)-tetracos-15-enoyl]-2-acylphosphoglycerolipid(1-) (Q74507836)
- 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) (Q74507841)
- 1-(Z)-alk-1-enyl-sn-glycerol (Q74508119)
- (2S,3R)-flavan-3-ol (Q74508121)
- N-arachidonoyl-1,2-diacyl-sn-glycero-3-phosphoethanolamine(1-) (Q74508122)
- CDP-diacylglycerol(2-) (Q74508125)
- UDP-monosaccharide(2-) (Q74508128)
- 1-organyl-2-acetyl-sn-glycero-3-phospholipid(1-) (Q74508133)
- pyrimidine ribonucleoside 5'-monophosphate(2-) (Q74508134)
- N-(12-hydroxyjasmonyl)-L-alpha-amino acid anion (Q74508136)
- lysophosphatidylinositol 16:0(1-) (Q74508137)
- (9Z,12Z,15Z)-octadeca-9,12,15-trien-6-ynoyl-containing glycerolipid (Q74508795)
- alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-Cer (Q74508799)
- alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1<->1')-ceramide(2-) (Q74508800)
- (9Z,12E)-octadecadienoyl-containing glycerolipid (Q74508808)
- C20 phytoceramide (Q74508815)
- beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer (Q74508816)
- N-(2-hydroxytetracosenoyl)sphinganine (Q74509627)
- 1-alkyl-2-acetyl-3-acyl-sn-glycerol (Q74509629)
- bacteriochlorophyllide c(1-) (Q74509633)
- beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer (Q74509641)
- 1-acyl-2-[(7Z)-hexadec-7-enoyl]-glycerolipid (Q74509645)
- alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide (Q74514644)
- N-acyl-(4R,8Z)-4-hydroxysphing-8-enine (Q74514650)
- C24:1-sphinganine (Q74514653)
- pyrimidine ribonucleoside (Q74514655)
- N-(1,2-saturated acyl)phytosphingosine (Q74514662)
- 2-16:1-lysophosphatidate(2-) (Q74514669)
- monosubstituted aliphatic (S)-cyanohydrin (Q74552314)
- 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (Q74552323)
- very long-chain (R)-3-hydroxyacyl-CoA(4-) (Q74552327)
- alpha-linolenoyl-sn-glycero-3-phosphocholine (Q74552348)
- 1,2-diacyl-3-O-(beta-D-Glc-(1->6)-beta-D-Glc)-sn-glycerol (Q74561663)
- penicillinate anion (Q74561664)
- alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(2-) (Q74561667)
- 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate(2-) (Q74561669)
- short-chain 2,3-trans-enoyl CoA(4-) (Q74561671)
- alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(5-) (Q74561672)
- alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide(1-) (Q74561674)
- N-(1,2-saturated acyl)sphinganine (Q74562399)
- N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(1-) (Q74562400)
- 1-acyl-2-hexanoyl-sn-glycero-3-phospho-(1'-D-myo-inositol-5'-phosphate)(3-) (Q74562405)
- (11Z,14Z)-icosadienoyl-containing glycerolipid (Q74562411)
- alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminide(1-) (Q74562413)
- alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1->1')-Cer (Q74562415)
- inositol phosphodihydroceramide(1-) (Q74563369)
- inositol phosphoceramide(1-) (Q74563374)
- 1,2-diacyl-sn-glycero-3-phospholipid (Q74563379)
- alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide (Q74563387)
- N-jasmonyl-L-alpha-amino acid anion (Q74563390)
- beta-D-Gal-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer (Q74564689)
- nucleoside 5'-monophosphate(2-) (Q74564690)
- beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer (Q74564706)
- N-(12-oxojasmonyl)-L-alpha-amino acid anion (Q74564708)
- 3beta-hydroxy-Delta(5)-steroid (Q74564714)
- N-(2-hydroxyacyl)sphinganine (Q74565929)
- anthocyanidin 3,5-di-O-beta-D-glucoside betaine (Q74565930)
- alpha-L-fucosyl-(1->2)-beta-D-galactosyl group (Q74565938)
- N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide (Q74565940)
- 2-linoleoyl-2'-monolysocardiolipin(2-) (Q74565943)
- 1-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) (Q74565945)
- beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide (Q74566528)
- N(5)-acyl-L-ornithine ester(1+) (Q74566530)
- 25-acyl-27-norcholesteryl beta-D-glucoside (Q74566535)
- alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-Cer(2-) (Q74566548)
- 1-acyl-2-linoleoyl-sn-glycero-3-phosphoserine(1-) (Q74567575)
- 6-(alpha-D-glucose-1-phospho)-alpha-D-mannoside(1-) (Q74567579)
- alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(5-) (Q74567582)
- ergosteryl ester (Q74567583)
- mycoketide-CoA(4-) (Q74567589)
- (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-containing glycerolipid (Q74567595)
- N-acylphosphatidylethanolamine(1-) (Q74568388)
- alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[alpha-N-acetylneuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminide(2-) (Q74568393)
- 1-oleoyl-2-acyl-sn-3-glycerol (Q74568402)
- alpha-D-mannoside (Q74568405)
- sphingoid 1-phosphate(1-) (Q74568407)
- Ins-1-P-Cer-C(1-) (Q74568409)
- 3-hydroxy fatty acyl-CoA(4-) (Q74569148)
- beta-D-Gal-(1->3)-[beta-D-GlcNAc-(1->6)]-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer (Q74569150)
- ricinoleoyl-sn-glycero-3-phosphocholine (Q74569158)
- medium-chain 3-substituted propanoyl-CoA(4-) (Q74569165)
- beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(2-) (Q74569169)
- inositol-1-phosphodihydroceramide(1-) (Q74639060)
- N-(2-hydroxyacyl)-beta-D-galactosylsphinganine (Q74639061)
- very long-chain 3-substituted propanoyl-CoA(4-) (Q74639063)
- N-acyl-15-methylhexadecaphytosphingosine (Q74639066)
- 1-(3-O-sulfo-beta-D-galactosyl-(1->4)-beta-D-glucosyl)-N-acylsphingosine(1-) (Q74639071)
- 1-acyl-2-arachidonoyl-sn-glycero-3-phosphocholine (Q74639072)
- phosphatidyl-myo-inositol 6-acylmannoside(1-) (Q74639074)
- flavonol 3-O-(6-O-malonyl-beta-D-glucoside)(1-) (Q74639572)
- N-acyl-(4E,8E,10E)-sphinga-4,8,10-trienine (Q74639578)
- alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine(3-) (Q74639580)
- 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-monododecanoyl-sn-glycerol (Q74639586)
- 3-beta-D-glucosyl-1,2-diacyl-sn-glycerol (Q74639592)
- 2'-oleoylcardiolipin(2-) (Q74639598)
- 1-acyl-2-palmitoleoyl-sn-glycero-3-phosphoethanolamine zwitterion (Q74640513)
- 1-oleoyl-2-acyl-sn-glycero-3-phosphocholine (Q74640521)
- 4-saturated-trans-3-enoyl-CoA(4-) (Q74640522)
- 2'-capryloylcardiolipin(2-) (Q74642138)
- dioleoylglycerol (Q74642141)
- 1-alkyl-sn-glycero-3-phosphocholine (Q74642155)
- 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-2-mono(long-chain acyl)-sn-glycerol (Q74642157)
- N-acetyl-beta-D-glucosaminide (Q74642159)
- 7-hydroxyisoflavones 7-O-beta-D-glucoside (Q74643090)
- 1,2-diacyl-3-O-(alpha-D-glucosyl)-sn-glycerol (Q74643093)
- 1-alkyl-2-acyl-3-(3-O-sulfo-beta-D-galactosyl)-sn-glycerol(1-) (Q74643095)
- ceramide phosphoethanolamine (Q74643099)
- 1-acyl-2-oleoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) (Q74643102)
- monoacyl-sn-glycerol 3-phosphate(2-) (Q74643104)
- N-acetyl-alpha-D-glucosaminide (Q74643111)
- 1-alpha-linolenoyl 2-acylglycerolipid (Q74647037)
- alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(4-) (Q74647046)
- 1-(3-O-sulfonato-beta-D-galactosyl)ceramide(1-) (Q74647052)
- mannosylinositol-1-phosphophytoceramide(1-) (Q74648567)
- 6-phospho-beta-D-galactoside(2-) (Q74648572)
- 2,3-trans-enoyl CoA(4-) (Q74648575)
- alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-Cer(5-) (Q74648578)
- 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) (Q74648580)
- (2R,3R)-flavan-3-ol (Q74648585)
- alpha-N-acetylneuraminyl-(2->3)-beta-D-galactoside(1-) (Q74648594)
- 2'-deoxyribonucleoside 5'-triphosphate(4-) (Q74650004)
- 4-saturated-(3S)-hydroxyacyl-CoA(4-) (Q74650016)
- 1-alkyl-3-acyl-sn-glycerol (Q74650023)
- beta-D-glucosyl-N-acylsphingosine (Q74650025)
- (2S)-flavan-4-one (Q74651112)
- beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1->1')-Cer(3-) (Q74651122)
- long-chain fatty acyl-CoA(4-) (Q74651136)
- 1-(alk-1-enyl)-sn-glycerol (Q74651138)
- 1,2-diacyl-3-(alpha-D-6-sulfoquinovosyl)-sn-glycerol(1-) (Q74651557)
- (2R,3S)-2-alkyl-3-hydroxyalkanoate (Q74651562)
- N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminide(1-) (Q74651565)
- alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(2-) (Q74651573)
- alpha-D-Gal-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer (Q74651576)
- purine ribonucleoside (Q74652108)
- 3alpha-hydroxy steroid (Q74652111)
- 2-O-(long-chain fatty acyl)-alpha,alpha-trehalose (Q74652119)
- N-retinylidene-N-retinylphosphatidylethanolamine betaine (Q74652122)
- beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminide (Q74652126)
- (2S)-2-methylacyl-CoA(4-) (Q74652133)
- 1-acyl-2-oleoyl-sn-glycero-3-phosphoserine(1-) (Q74652135)
- beta-L-Ara4N-lipid A (Q74652573)
- beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(3-) (Q74652579)
- 1-alkyl-2-acyl-sn-glycerol (Q74652590)
- alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) (Q74652594)
- long-chain fatty acyl-CoA (Q74652596)
- 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) (Q74655211)
- inositol phosphoceramide (Q74655217)
- long-chain fatty acyl-AMP(1-) (Q74655219)
- 3-(beta-D-galactosyl)-monododecanoyl-sn-glycerol (Q74655222)
- palmitoleoyl-containing glycerolipid (Q74655230)
- 1-acyl-2-(9,10-methyleneacyl)-sn-glycero-3-phospholipid(1-) (Q74655233)
- lipid A(4-) (Q74655237)
- N-acylphytosphingosine (Q74655652)
- alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) (Q74655654)
- beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-Cer (Q74655657)
- 11,12-saturated fatty acyl-CoA(4-) (Q74655661)
- 2,2'-dilysocardiolipin(2-) (Q74655665)
- N(5)-methyl-N(2)-[(3R)-3-(acyloxy)acyl]-L-ornithine zwitterion (Q74655667)
- 2'-palmitoylcardiolipin(2-) (Q74655673)
- 2-saturated acyl-CoA(4-) (Q74688017)
- Monosialyl-Gb5(1-) (Q74688020)
- flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside (Q74688024)
- 2-(2-hydroxyacyl)sphingosine (Q74688026)
- 2,3-bis-O-(geranylgeranyl)-sn-glycerol 1-phospholipid anion (Q74688028)
- ganglioside GD3(2-) (Q74688034)
- N-[omega-(linoleoyloxy)]acyl-beta-D-glucosyl-(1<->1)-sphingosine (Q74690015)
- beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-glucosaminide (Q74690020)
- N-retinylidenephosphatidylethanolamine (Q74690023)
- 1,2-diacyl-3-O-[alpha-D-glucosyl-(1-> 2)-alpha-D-glucosyl]-sn-glycerol (Q74690029)
- N-acyl-(4E,8E)-sphinga-4,8-dienine (Q74690032)
- alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-Cer(1-) (Q74690036)
- anthocyanidin 3-O-[2-O-(4-coumaroyl)-alpha-L-rhamnosyl-(1->6)-beta-D-glucoside] betaine (Q74690038)
- 2'-deoxynucleoside 3'-monophosphate(2-) (Q74690265)
- mannosylinositol phosphophytoceramide(1-) (Q74690270)
- (9Z,12Z)-octadeca-9,12-dien-6-ynoyl-containing glycerolipid (Q74690272)
- alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide(1-) (Q74690273)
- N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-Cer (Q74690277)
- beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer (Q74690278)
- (3R)-2'-hydroxyisoflavanones (Q74690281)
- alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) (Q74690284)
- 1,2-diacyl-sn-glycero-3-phospho-1'-(3'-O-L-lysyl)-sn-glycerol(1+) (Q74691690)
- beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-Cer (Q74691694)
- N-acyl-15-methylhexadecasphinganine (Q74691699)
- (3R,4R)-3-acyl-4-(hydroxymethyl)oxolan-2-one (Q74693118)
- alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNac-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(2-) (Q74693122)
- 1-alkyl-2-acyl-3-(beta-D-galactosyl)-sn-glycerol (Q74693123)
- CMP-N-acyl-beta-neuraminate(2-) (Q74693131)
- 1-O-acyl-N-acylsphingosine (Q74693133)
- bacteriochlorophyllide e(1-) (Q74693140)
- alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-Cer (Q74693142)
- 1-[(17Z)-hexacos-17-enoyl]-2-acylphosphoglycerolipid(1-) (Q74693990)
- 1-acyl-2-hexanoyl-sn-glycero-3-phospho-(1'-D-myo-inositol)(1-) (Q74693993)
- flavonol 3-O-beta-D-glucoside (Q74693998)
- L-alpha-amino acid zwitterion (Q74694002)
- alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer (Q74694005)
- 1-linoleoyl-2-acylglycerolipid (Q74694013)
- beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(2-) (Q74695041)
- all-trans-retinyl ester (Q74695044)
- N-[omega-(linoleoyloxy)]acylsphin-4-enine (Q74695047)
- beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) (Q74695053)
- beta-D-galactosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminide (Q74695055)
- 2'-deoxyribonucleoside (Q74695060)
- 2-monolysocardiolipin(2-) (Q74695070)
- mannosylinositol phosphorylceramide(1-) (Q74695361)
- 1,2-diacyl-sn-glycerol 3-diphosphate(3-) (Q74695364)
- beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminide (Q74695365)
- chlorophyll(1-) (Q74695372)
- 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphate(2-) (Q74695381)
- pyrimidine 2'-deoxyribonucleoside 5'-phosphate(2-) (Q74695385)
- alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(4-) (Q74695389)
- N-acyl-D-mannosamine 6-phosphate(2-) (Q74696754)
- 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-1,2-diacyl-sn-glycerol (Q74696767)
- beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphinganine (Q74696772)
- monoacyl-3-O-(beta-D-galactosyl)-sn-glycerol (Q74699348)
- N-(long-chain-fatty-acyl)-L-glutamate (Q74699355)
- 1-acyl-2-oleoyl-sn-glycero-3-phosphate(2-) (Q74699357)
- [(3S)-4-alkanoyl-5-oxooxolan-3-yl]methyl phosphate(2-) (Q74700280)
- N-[(R)-2-hydroxyacyl]phytosphingosine (Q74700285)
- N-acylheptadecasphingosine (Q74700289)
- S-acylglutathionate(1-) (Q74700295)
- 1-phosphatidyl-1D-myo-inositol 4-phosphate(3-) (Q74700299)
- 1-acyl-2-[(Z)-9,10-enoyl]-sn-glycero-3-phospholipid(1-) (Q74700305)
- 2'-linoleoylcardiolipin(2-) (Q74700310)
- 1-acyl-2-palmitoleoyl-sn-glycero-3-phosphoserine(1-) (Q74700315)
- 3-methyl fatty acyl-CoA(4-) (Q74701010)
- inositol phosphophytoceramide(1-) (Q74701018)
- flavonol 7-O-(6-O-malonyl-beta-D-glucoside)(1-) (Q74701021)
- 2,3-bis-O-phytanyl-sn-glycerol 1-phospholipid anion (Q74701024)
- (24S)-24-hydroxycholesterol ester (Q74701035)
- L-erythro-N-acylsphingosine (Q74701039)
- oligoglycosyl-(1->4)-beta-D-glucose (Q74701044)
- 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5-) (Q74701494)
- 7(1)-hydroxybacteriochlorophyllide d(1-) (Q74701502)
- 3beta-hydroxy-4beta-formylmethyl-4alpha-methylsteroid (Q74701503)
- N-acyl-aromatic L-alpha-amino-acid anion (Q74701506)
- N-acyl-1-[(1Z)-alkenyl]-sn-glycero-3-phosphoethanolamine(1-) (Q74701515)
- alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide (Q74701519)
- N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-3-sulfogalactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) (Q74701522)
- ribonucleoside 3'-monophosphate(2-) (Q74702213)
- cis-3-enoyl-CoA(4-) (Q74702216)
- N-acyl-D-galactosylsphingosine (Q74702219)
- nucleoside 5'-diphosphate(3-) (Q74702221)
- 1-tetracosanoyl-2-acylphosphoglycerolipid(1-) (Q74702224)
- (11Z,14Z,17Z)-icosatrienoyl-containing glycerolipid (Q74702227)
- (2R,3R)-dihydroflavonol (Q74702240)
- 1-(3-sn-phosphatidyl)-sn-glycerol 3-phosphate(3-) (Q74702904)
- alpha-Neu5Gc-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) (Q74702908)
- nucleoside 3',5'-bisphosphate(4-) (Q74702914)
- N-tetracosenoyl-C17-sphingosine (Q74702927)
- inositol phosphomannosylinositol-1-phospho-N-acylphytosphingosine(2-) (Q74702930)
- 25-acyl-27-norcholesterol (Q74702936)
- 1-acyl-2-stearoyl-sn-glycero-3-phospho-(1D-myo-inositol)(2-) (Q74703914)
- N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosaminide (Q74703918)
- 1-(Z)-alk-1-enyl-sn-glycero-3-phosphocholine (Q74703927)
- 2,3-dehydroacyl-CoA(4-) (Q74703929)
- N-acetyl-beta-D-glucosaminyl-(1->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide (Q74703931)
- beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)- beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer (Q74703941)
- (2R,3S,4S)-leucoanthocyanidin (Q74704898)
- (9Z,11E,13Z)-octadeca-9,11,13-trienoyl-containing glycerolipid (Q74704900)
- ribonucleoside 2'-monophosphate(2-) (Q74704905)
- N-acyl-15-methylhexadecasphing-4-enine-1-phosphate(2-) (Q74704907)
- alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide (Q74704912)
- S-(2-hydroxyacyl)glutathione(1-) (Q74704916)
- gentamycin(2+) (Q74705691)
- 3beta-hydroxysterol ester (Q74705697)
- trans-3-enoyl-CoA(4-) (Q74705699)
- oligosaccharide-(1->4)-N-acetyl-beta-D-glucosamine-(1->4)-N-acetyl-alpha-D-glucosamine 1-phosphate(2-) (Q74705702)
- N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(2-) (Q74705707)
- 1-phosphatidyl-1D-myo-inositol(1-) (Q74705708)
- flavonol 7-O-beta-D-glucoside (Q74705939)
- (2S,3R)-aldopyranose (Q74705943)
- (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-containing glycerolipid (Q74705945)
- [(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine (Q74705947)
- 6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside (Q74705953)
- N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosylceramide(1-) (Q74705958)
- beta-D-glucosylceramide (Q74707994)
- 2-O-(long-chain fatty acyl)-3-O-mycolipenoyl-trehalose (Q74708000)
- alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1<->1')-N-acylsphingosine(2-) (Q74708004)
- 5-hydroxyanthocyanin O-beta-D-glucoside (Q74708006)
- purines 2'-deoxy-D-ribonucleoside (Q74708008)
- 1-(Z)-alk-1-enyl-2-acylglycerol (Q74708011)
- N-acyl-sn-glycero-3-phosphoethanolamine(1-) (Q74708014)
- 1-acyl-sn-glycero-2,3-cyclic phosphate(1-) (Q74708017)
- purines D-ribonucleoside (Q74708352)
- alpha-Neu5Gc-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) (Q74708355)
- N-acyl-D-alpha-amino acid anion (Q74708360)
- (2S,3S)-flavan-3-ol (Q74708364)
- 6-(N-acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol(1-) (Q74708370)
- lanosteryl ester (Q74708376)
- 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine (Q74708378)
- alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1)(4-) (Q74709617)
- phytoceramide (Q74709628)
- arachidonoyl-containing glycerolipid (Q74709630)
- 4-saturated trans-2-enoyl-CoA(4-) (Q74709634)
- (11E)-Delta(11)-fatty acyl-CoA(4-) (Q74711328)
- N-acyl-D-glutamates(2-) (Q74711332)
- (2R)-2-methylacyl-CoA(4-) (Q74711341)
- long-chain 3-oxo-fatty acyl-CoA(4-) (Q74711345)
- alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactoside (Q74711348)
- beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminide (Q74713221)
- 3-(beta-D-galactosyl)-2-mono(long-chain acyl)-sn-glycerol (Q74713227)
- (3R,4R)-4,2'-dihydroxyisoflavans (Q74713230)
- (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-containing glycerolipid (Q74713235)
- dilinoleoylglycerol (Q74713244)
- alpha-D-glucosyl-(1->6)-alpha-D-glucosyl-(1->6)-alpha-D-glucosyl-(1->3')-1-alkyl-2-acylglycerol (Q74796660)
- gentamicin C(5+) (Q74796669)
- N-acyl-Delta(8)-phytosphingenine (Q74796680)
- sphingoid base(1+) (Q74800303)
- L-gamma-glutamyl-L-amino acid(1-) (Q74800307)
- alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(4-) (Q74800312)
- 1-(1Z-alkenyl)-2-acyl-sn-glycero-3-phospho-L-serine(1-) (Q74800313)
- short chain fatty acyl-CoA(4-) (Q74801224)
- 2-O-acyl-3-O-beta-D-galactosyl-sn-glycerol (Q74801227)
- beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer (Q74801229)
- alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) (Q74801232)
- N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactoside(1-) (Q74801234)
- 16alpha-hydroxy steroid (Q74801240)
- N-acyl-D-mannosaminolactone (Q74801451)
- flavonol 3-O-[6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside]s (Q74801454)
- alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminide (Q74801455)
- NDP-alpha-D-glucose(2-) (Q74801458)
- UDP-2-N,3-O-bis[(3R)-3-hydroxyacyl]-alpha-D-glucosamine(2-) (Q74801459)
- alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) (Q74801460)
- 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate(2-) (Q74801463)
- 3'-(beta-D-glucopyranosyl)-2'-hydroxy-beta-oxodihydrochalcone (Q74802798)
- S-substitued glutathione(1-) (Q74802800)
- D-5-monosubstituted hydantoin (Q74802804)
- 4,5-saturated-trans-2-enoyl-CoA(4-) (Q74802805)
- 5'-phosphonucleoside 3'-diphosphate(5-) (Q74802812)
- (9Z,11E,13E,15Z)-octadecatetraenoyl-containing glycerolipid (Q74804649)
- beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminide (Q74804650)
- (R)-3-hydroxyacyl-CoA(4-) (Q74804654)
- omega-3-arachidonoyl-containing glycerolipid (Q74804662)
- zymosterol ester (Q74804667)
- 1-oleoyl-2-acylglycerolipid (Q74804820)
- 1-acyl-sn-glycero-3-phosphoserine(1-) (Q74804824)
- 1-stearoyl-2-acyl-sn-glycero-3-phospho-(1D-myo-inositol)(1-) (Q74804826)
- alpha-D-glucosiduronate (Q74804831)
- O-acyltropine (Q74804832)
- beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(2-) (Q74804839)
- N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide (Q74804841)
- 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-mono(long-chain acyl)-sn-glycerol (Q74805450)
- C26:1-CoA(4-) (Q74805462)
- N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine (Q74805464)
- 7,7-dihydroxybacteriochlorophyllide c(1-) (Q74805472)
- acyl-sn-glycero-3-phosphocholine (Q74805476)
- 6-O-acetyl-beta-D-galactoside (Q74805479)
- mycothiol S-conjugate (Q74805483)
- beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide (Q74809772)
- 2-acyl-sn-glycero-3-phosphoserine(1-) (Q74809777)
- 2-hydroxytetracosenoyl-CoA(4-) (Q74809780)
- alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) (Q74809781)
- UDP-2,3-diacyl-alpha-D-glucosamine(2-) (Q74809784)
- sphingoid-1-phosphocholine(1+) (Q74809788)
- cis-3,4-dialkyloxetan-2-one (Q74809795)
- alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(2-) (Q75004918)
- (5Z,9Z,12Z)-octadecatrienoyl-containing glycerolipid (Q75004925)
- 2-hydroxy-3-methylacyl-CoA(4-) (Q75004927)
- (2S,3R)-aldono-1,5-lactone (Q75004928)
- beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminyl-(2->6)]-N-acetyl-alpha-D-galactosaminide(1-) (Q75004930)
- 1,2-diacyl-3-[3-(alpha-D-N-acetylneuraminyl)-beta-D-galactosyl]-sn-glycerol(1-) (Q75005037)
- N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide (Q75005038)
- beta-D-3-sulfogalactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) (Q75005042)
- 1-acyl-2-dodecanoyl-sn-glycero-3-phosphate(2-) (Q75005043)
- alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine(2-) (Q75005047)
- 2-acyl-sn-glycero-3-phosphate(2-) (Q75005048)
- alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine (Q75005477)
- Man-1-2-Ins-1-P-Cer C(1-) (Q75005481)
- alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNac-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-ceramide(2-) (Q75005483)
- 1-hexanoyl-2-acyl-sn-glycero-3-phosphocholine (Q75005793)
- (3E,5Z)-dienoyl-CoA(4-) (Q75005795)
- L-5-monosubstituted hydantoin (Q75005800)
- alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1<->1')-ceramide (Q75005806)
- alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer (Q75005808)
- alpha-N-glycoloylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) (Q75006782)
- N-stearoyl-sphingoid base (Q75006783)
- oleoyl-sn-glycero-3-phosphocholine (Q75006792)
- acyl-AMP(1-) (Q75007140)
- alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(3-) (Q75007142)
- 1-(beta-D-galactosyl)-2-(2-hydroxyacyl)sphingosine (Q75007144)
- 2-palmitoyl-2'-monolysocardiolipin(2-) (Q75007149)
- N-carbamoyl-D-alpha-amino acid anion (Q75007151)
- N-acyl-L-homoserinate (Q75007153)
- 2,6-O-bis(alpha-D-mannopyranosyl)-1-phosphatidyl-1D-myo-inositol(1-) (Q75007154)
- N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (Q75007157)
- N-(very-long-chain fatty acyl)-sphingoid base (Q75007599)
- anthocyanidin 3-O-beta-D-sambubioside betaine (Q75007601)
- N-tetracosenoylsphingosine (Q75007603)
- (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-containing glycerolipid (Q75007605)
- phosphatidyl-L-serine(1-) (Q75007804)
- N-palmitoyl-sphingoid base (Q75007808)
- alpha-N-acetylneuraminyl-(2->6)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide(1-) (Q75007810)
- N(3')-acetyl-2-deoxystreptamine antibiotic(1+) (Q75008422)
- N-acetyl-beta-D-glucosaminyl-(1->3)-N-acetyl-D-galactosaminyl group (Q75008425)
- alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide (Q75008427)
- N-acyl-D-aspartate(2-) (Q75008430)
- prostaglandins J (Q75008436)
- N-carbamoyl-L-alpha-amino acid anion (Q75009130)
- 3beta-hydroxy-4,4-dimethylsteroid (Q75009132)
- short-chain 3-substituted propanoyl-CoA(4-) (Q75009134)
- N-acyl-L-aspartate(2-) (Q75009137)
- 3-vinyl-bacteriochlorophyllide d(1-) (Q75009139)
- medium-chain 2,3-trans-enoyl CoA(4-) (Q75009143)
- anthocyanidin 3-O-[6-O-(4-hydroxycinnamoyl)-beta-D-glucoside] (Q75009418)
- alpha-N-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) (Q75009422)
- very long-chain 2,3-trans-enoyl CoA(4-) (Q75009423)
- 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (Q75009424)
- beta-D-glucosyl-L-erythro-N-acylsphingosine (Q75009426)
- trans,trans-2,4-dienoyl-CoA(4-) (Q75009431)
- 2-acyl-sn-glycero-3-phosphocholine (Q75013275)
- 1-(Z)-alk-1-enyl-2-oleoyl-sn-glycero-3-phosphocholine (Q75013277)
- 1-[(9Z)-octadecenyl]monooleoylglycerol (Q75013281)
- anthocyanidin 3-O-(6-O-malonyl-beta-D-glucoside) betaine (Q75013289)
- (9Z,11E,13E)-octadecatrienoyl-containing glycerolipid (Q75013456)
- 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) (Q75013460)
- cardiolipin(2-) (Q75013465)
- N-acyl-L-homoserine lactone (Q75013468)
- (8Z,11Z,14Z)-icosatrienoyl-containing glycerolipid (Q75013470)
- bacteriochlorophyllide d(1-) (Q75013558)
- 1-acyl-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) (Q75013561)
- 1-acyl-sn-glycerol 3-phosphate(2-) (Q75013565)
- 1-acyl-2-[(R)-12-hydroxyoleoyl]-sn-glycero-3-phosphocholine (Q75013568)
- O-acyl-L-carnitine (Q75013570)
- anthocyanidin 3-O-beta-D-glucoside (Q75013572)
- bacteriochlorophyllide f(1-) (Q75013868)
- beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide (Q75013875)
- N-[omega-(9R)-hydroperoxy(10E,12Z)-octadecadienoyloxy]acylsphin-4-enine (Q75013877)
- alpha-N-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) (Q75013878)
- oleoyl-sn-glycero-3-phosphate(2-) (Q75013880)
- 1-phosphatidyl-1D-myo-inositol 3-phosphate(3-) (Q75013882)
- N-hexadecanoylphosphatidylethanolamine(1-) (Q75013884)
- 7(1),7(1)-dihydroxybacteriochlorophyllide d(1-) (Q75014658)
- 2-stearoyl-2'-monolysocardiolipin(2-) (Q75014660)
- N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-glycoloylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) (Q75014664)
- beta-D-glucuronoside(1-) (Q75014670)
- inositol-1-phosphophytoceramide(1-) (Q75014672)
- N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (Q75014817)
- omega-carboxyacyl-CoA(5-) (Q75014821)
- 6-alkylamino-7-beta-D-glucosylpurine (Q75014825)
- beta-D-glucosyl-(1<->1')-N-acylsphinganine (Q75014828)
- 3-(beta-D-galactosyl)monooctanoyl-sn-glycerol (Q75014830)
- flavonol 3-O-[beta-D-xylosyl-(1->2)-beta-D-glycoside]s (Q75014831)
- 2-deoxystreptamine cation (Q75025873)
- 3beta-hydroxy steroid (Q75025879)
- 4alpha-methyl-3-oxosteroid (Q75025882)
- 3-[beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl]-1,2-diacyl-sn-glycerol (Q75025885)
- 1-O-alkyl-2-O-arachidonoyl-sn-glycero-3-phosphocholine (Q75025888)
- alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine(1-) (Q75025891)
- medium-chain fatty acyl-CoA(4-) (Q75026542)
- alpha-linolenoyl-containing glycerolipid (Q75026544)
- 3-acyl-sn-glycerol (Q75026546)
- 1-alkyl-2,3-diacyl-sn-glycerol (Q75026548)
- anthocyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside betaine (Q75026561)
- 1-organyl-2-lyso-sn-glycero-3-phospholipid(1-) (Q75026759)
- ribonucleoside 5'-diphosphate-alpha-D-glucose(2-) (Q75026761)
- 2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) (Q75026766)
- N-[(2R)-hydroxyacyl]sphinganine (Q75026768)
- mannosylinositol phosphorylceramide (Q75026929)
- 12'-apo-carotenal (Q75026933)
- 1-[(6Z,9Z,12Z,15Z)-octadec-6,9,12,15-tetraenoyl]-2-acylglycerolipid (Q75026935)
- (7Z,10Z,13Z,16Z)-docosatetraenoyl-containing glycerolipid (Q75026943)
- alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')--N-acylsphingosine(1-) (Q75027397)
- (S)-3-hydroxyacyl-CoA(4-) (Q75027400)
- 1-hexacosanoyl-2-acylphosphoglycerolipid(1-) (Q75027405)
- sn-glycerophosphodiester(1-) (Q75027407)
- (7Z,10Z)-hexadecadienoyl-containing glycerolipid (Q75027409)
- alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(3-) (Q75027703)
- beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide (Q75027706)
- 1-acyl-2-[(S)-12-hydroxyoleoyl]-sn-glycero-3-phosphocholine (Q75027710)
- C20 dihydroceramide (Q75027711)
- (2R)-2-hydroxy fatty acid anion (Q75027715)
- phosphatidylethanol(1-) (Q75027716)
- 2-deoxy-alpha-D-glucoside (Q75028188)
- alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)-beta-D-galactoside(2-) (Q75028189)
- N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-Ceramide (Q75028191)
- alpha-L-fucoside (Q75028193)
- 1-alkyl-2-acetyl-sn-glycerol 3-phosphate(2-) (Q75028194)
- oleoyl-containing glycerolipid (Q75028196)
- 2,3-diacyl-sn-glycerol (Q75028201)
- (R)-2-alkyl-3-oxoalkanoate (Q75028203)
- 1-(Z)-alk-1-enyl-2-acyl-sn-glycerol (Q75028415)
- N-acylsphinganine-1-phosphocholine (Q75028417)
- N-[omega-(9R)-hydroperoxy-(10E,12Z)-octadecadienoyloxy]acyl-beta-D-glucosyl-(1<->1)-sphingosine (Q75028419)
- N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide(d18:1(4E)) (Q75028421)
- 2,3-diacyl-alpha-D-glucosaminyl 1-phosphate (Q75028423)
- very long-chain fatty acyl-CoA(4-) (Q75028424)
- 2'-deoxyribonucleoside 5'-diphosphate(3-) (Q75028432)
- L-arginyl-L-alpha-amino acid(1+) (Q75028434)
- monoacyl-sn-glycero-3-phospholipid (Q75030880)
- alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) (Q75030884)
- flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside (Q75030889)
- 1-O-acyl-N-acetylsphingosine (Q75030893)
- (2S)-2-hydroxy monocarboxylic acid anion (Q75030895)
- prostaglandins F (Q75031459)
- (6Z,9Z,12Z,15Z)-octadecatetraenoyl-containing glycerolipid (Q75031460)
- N-acyllysophosphatidylethanolamine(1-) (Q75031462)
- beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide (Q75031464)
- (2E,4Z)-dienoyl-CoA(4-) (Q75031466)
- N-acyl-(2S)-hydroxyglycinate (Q75031467)
- alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(3-) (Q75031471)
- beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer (Q75031473)
- N-acyl-D-mannosamine (Q75031475)
- N-(ultra-long-chain-acyl)-sphingoid base (Q75031846)
- UDP-3-O-[(3R)-hydroxyacyl]-alpha-D-glucosamine(1-) (Q75031849)
- 1-acyl-2-palmitoylglycerolipid (Q75031852)
- N-(2-hydroxyacyl)-beta-D-galactosylsphingosine (Q75031854)
- (11Z)-Delta(11)-fatty acyl-CoA(4-) (Q75031855)
- (7Z,10Z,13Z)-hexadecatrienoyl-containing glycerolipid (Q75031857)
- 1,3-diacyl-sn-glycerol (Q75031859)
- 2-oleoyl-2'-monolysocardiolipin(2-) (Q75031861)
- N-acetyl-alpha-D-galactosaminide (Q75032014)
- prostaglandins I (Q75032016)
- 3beta-hydroxy-4alpha-methylsteroid-4beta-carboxylate (Q75032022)
- episterol ester (Q75032023)
- 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-monoacyl-sn-glycerol (Q75032027)
- (4S)-2,3-dehydroflavan-3,4-diol(1-) (Q75032616)
- N(3')-acetylgentamycin C(4+) (Q75032619)
- 16beta-hydroxy steroid (Q75032621)
- N-acetyl-beta-D-glucosaminyl-(1->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide (Q75032624)
- alpha-D-GalNAc-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer (Q75032625)
- alpha-L-fucosyl-(1->2)-beta-D-galactoside (Q75032800)
- alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-[alpha-Neu5Ac-(2->6)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(2-) (Q75032802)
- N-acylneuraminate 9-phosphate(3-) (Q75032805)
- beta-L-Ara4N-lipid A(2-) (Q75032807)
- alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(3-) (Q75032810)
- alpha-D-galactopyranosyl-(1->2)-alpha-D-glucopyranosyl-(1->3)-1,2-diacyl-sn-glycerol (Q75032812)
- galactosylceramide sulfate(1-) (Q75032814)
- 1-alkyl-2-acyl-sn-glycero-3-phosphate(2-) (Q75032815)
- beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer (Q75033315)
- 5'-acylphosphoadenosine(1-) (Q75033317)
- alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(1-) (Q75033322)
- 1-(1Z)-alkenyl-2-acetyl-sn-glycero-3-phosphocholine (Q75033326)
- 14alpha-methyl steroid (Q75033327)
- prostaglandins D (Q75033329)
- alpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer (Q75033799)
- N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide anion (Q75033800)
- O-acyl-ADP-D-ribose(2-) (Q75033802)
- beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer (Q75033809)
- alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1->1')-Cer (Q75033813)
- 1-(Z)-alk-1-enyl-sn-glycero-3-phosphate(2-) (Q75033815)
- beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide (Q75033900)
- a 2-acyl-sn-glycero-3-phospholipid (Q75033907)
- 2-capryloyl-2'-monolysocardiolipin(2-) (Q75033908)
- 2-arachidonoyl-2'-monolysocardiolipin(2-) (Q75033910)
- inositol phosphophytoceramide (t18:0)(1-) (Q75033911)
- 1-acyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) (Q75033913)
- beta-D-galactosyl-(1->4)-beta-D-glucoside (Q75033915)
- N(5),N(5),N(5)-trimethyl-N(2)-[(3R)-3-(acyloxy)acyl]-L-ornithine betaine (Q75034250)
- N-acetyl-alpha-neuraminosyl-(2->3)-D-galactosylceramide(1-) (Q75034253)
- oligoglycosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide (Q75034255)
- 2-dodecanoyl-2'-monolysocardiolipin(2-) (Q75034256)
- 3beta-hydroxysteroid-4alpha-carboxylate (Q75034260)
- very long-chain 3-oxoacyl-CoA(4-) (Q75034263)
- linoleoyl-containing glycerolipid (Q75034521)
- alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1<->1')-ceramide(d18:1(4E)) (Q75034523)
- alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(2-) (Q75034528)
- aromatic (S)-hydroxynitrile (Q75034530)
- beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-Cer (Q75034533)
- 1-acyl-2-arachidonoyl-sn-glycero-3-phosphoserine(1-) (Q75034748)
- nucleoside 5'-phosphate dianion (Q75034751)
- N-acyl-15-methylhexadecasphing-4-enine (Q75034752)
- long-chain (3S)-hydroxy fatty acyl-CoA(4-) (Q75034753)
- Man-1-2-Ins-1-P-Cer(t18:0)(1-) (Q75034756)
- lysophosphatidylcholine 16:0 (Q75035082)
- 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphate(2-) (Q75035085)
- beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) (Q75035086)
- (9Z,12E)-hexadecadienoyl-containing glycerolipid (Q75035088)
- N-acyl-D-glucosamine 6-phosphate(2-) (Q75035090)
- N-acylneuraminate (Q75035092)
- beta-D-glucosiduronate (Q75035289)
- N(2)-acyl-L-glutaminate (Q75035291)
- sterol 3-beta-D-glucoside (Q75035292)
- 1-acyl-2-palmitoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) (Q75035293)
- 3-substituted propionyl-CoA(4-) (Q75035295)
- N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide (Q75035297)
- alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-ceramide(2-) (Q75035298)
- anthocyanidin 3-O-sophoroside betaine (Q75035301)
- lipid A 4'-(2-aminoethyl diphosphate) oxoanion (Q75035401)
- N-[omega-(9R,10R)-epoxy-(13R)-hydroxy-(11E)-octadecenoyloxy]sphing-4-enine (Q75035403)
- anthocyanidin 3-O-[2-O-(4-coumaroyl)-alpha-L-rhamnosyl-(1->6)-beta-D-glucoside] 5-O-beta-D-glucoside betaine (Q75035404)
- 1-(1-hydroxyalkyl)-sn-glycerol (Q75035662)
- S-acyl-4'-phosphopantetheine(2-) (Q75035663)
- 3beta-hydroxy-4beta-hydroxymethyl-4alpha-methylsteroid (Q75035665)
- C20 ceramide (Q75035667)
- beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-beta-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(3-) (Q75035677)
- 1-gamma-linolenoyl 2-acylglycerolipid (Q75035680)
- N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminide(1-) (Q75035801)
- (8E,10E,12Z)-octadecatrienoyl-containing glycerolipid (Q75035802)
- chlorophyllide(2-) (Q75035804)
- 2'-deoxynucleoside 5'-monophosphate(2-) (Q75035805)
- 3-(beta-D-galactosyl)mono(long-chain acyl)-sn-glycerol (Q75035807)
- alkyl caffeate ester (Q75035808)
- N-acylsphingoid (Q75035810)
- 6-saturated-trans,trans-2,4-dienoyl-CoA(4-) (Q75035811)
- 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate(5-) (Q75035813)
- alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1->1')-Cer (Q75077882)
- 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-monooctanoyl-sn-glycerol (Q75077885)
- N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphinganine (Q75077890)
- Disialosyl Gb5(2-) (Q75077892)
- N-acylphytosphingosine-1-phosphocholine (Q75077894)
- 1-(alk-1-enyl)-sn-glycero-3-phosphate(2-) (Q75078193)
- alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide (Q75078195)
- 1-acyl-2-(10-methylenealkanoyl)-sn-3-glycerophospholipid (Q75078197)
- lipid A 1-(2-aminoethyl diphosphate) oxoanion (Q75078199)
- beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-Cer (Q75078206)
- 1,2-diacyl-sn-glycerol 3-phosphate(2-) (Q75078539)
- beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminide (Q75078542)
- medium-chain fatty acyl-AMP(1-) (Q75078546)
- 1-acyl-2-hexadecenoyl-sn-glycero-3-phosphate(2-) (Q75078547)
- 2'-arachidonoylcardiolipin(2-) (Q75078819)
- 1-acyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) (Q75078820)
- alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1->1')-Cer (Q75078822)
- N-acetyl-beta-D-galactosaminyl-(1->4)-N-acetyl-beta-D-glucosaminide (Q75078824)
- N-acylhexadecasphinganine (Q75078831)
- alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) (Q75078833)
- beta-galactosylceramide (Q75078834)
- 1-acyl-2-[(3E)-hexadec-3-enoyl]-glycerolipid (Q75079227)
- 2',3'-cyclic nucleotide(1-) (Q75079228)
- 6-O-sulfonato-alpha-D-Glc-(1->6)-alpha-D-Glc-(1->6)-alpha-D-Glc-(1->3)-1-O-alkyl-2-O-acylglycerol (Q75079229)
- (3R,4R)-3-[(1S)-1-hydroxyalkyl]-4-(hydroxymethyl)oxolan-2-one (Q75079230)
- mannosyl diphosphorylinositol ceramide (Q75079232)
- beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer (Q75079233)
- 1-acyl-2-palmitoleoyl-sn-glycero-3-phosphocholine (Q75079456)
- gamma-linolenoyl-containing glycerolipid (Q75079457)
- N-acetyl-D-amino acid anion (Q75079462)
- N-(12-hydroxy-12-oxojasmonyl)-L-alpha-amino acid dianion (Q75079464)
- 1,2-diacyl-3-(3-O-sulfo-beta-D-galactosyl)glycerol(1-) (Q75079468)
- long-chain 2,3-trans-enoyl CoA(4-) (Q75079472)
- 7-hydroxybacteriochlorophyllide c(1-) (Q75079945)
- N-(acyl)-sphingosyl-1,3-cyclicphosphate(1-) (Q75079947)
- N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactose derivative (Q75079949)
- 3-[beta-D-galactosyl-(1->6)-beta-D-galactosyl]-1,2-diacyl-sn-glycerol (Q75079952)
- 2'-lauroylcardiolipin(2-) (Q75079955)
- 1-acyl-2-(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-sn-glycero-3-phospho-D-myo-inositol(1-) (Q75079957)
- flavonol 3-O-[alpha-L-rhamnosyl-(1->6)-beta-D-glucoside]s (Q75079961)
- 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphocholine (Q75080066)
- alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-Cer(4-) (Q75080068)
- 2-O-(alpha-D-mannopyranosyl)-1-phosphatidyl-1D-myo-inositol(1-) (Q75080073)
- alkylcob(III)alamin (Q75080078)
- N-acyl-(4E,8E)-9-methylsphinga-4,8-dienine (Q75081688)
- 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate(2-) (Q75081691)
- N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide (Q75081695)
- 1-acyl-2-linoleoyl-sn-glycero-3-phosphocholine betaine (Q75081696)
- 7beta-hydroxy steroid (Q75081701)
- 1-(beta-D-galactosyl)-monododecanoyl-sn-glycerol (Q75081704)
- beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide (Q75082501)
- 1-(Z)-alk-1-enyl-2-octanoyl-sn-glycero-3-phosphoethanolamine zwitterion (Q75082507)
- beta-D-galactoside (Q75082510)
- N-acyl-L-alpha-amino acid anion (Q75082511)
- nucleoside 3',5'-cyclic phosphate anion (Q75082513)
- nucleoside triphosphate(4-) (Q75082690)
- 1-O-(1,2-saturated-alkyl)-sn-glycerol (Q75082692)
- purine 2'-deoxyribonucleoside 5'-phosphate(2-) (Q75082695)
- 1-acyl-sn-glycerol (Q75082697)
- 2-O-(alpha-D-mannopyranosyl)-6-O-(6-acyl-alpha-D-mannopyranosyl)-1-phosphatidyl-1D-myo-inositol(1-) (Q75082698)
- C26:1-sphinganine (Q75082702)
- alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphinganine (Q75082794)
- beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucoside (Q75082797)
- very long-chain acyl-CoA(4-) (Q75082800)
- N-acetyl-alpha-D-galactosaminyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide (Q75082802)
- N-acylphosphatidylethanolamine (Q75082807)
- 1-acyl-2-oleoyl-sn-glycero-3-phosphocholine betaine (Q75082809)
- alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine (Q75082912)
- 1-(Z)-alk-1-enyl-2-palmitoyl-sn-glycero-3-phosphocholine (Q75082913)
- D-alpha-amino acid anion (Q75082915)
- alpha-N-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) (Q75082916)
- (9Z)-octadec-9-en-12-ynoyl-containing glycerolipid (Q75082918)
- 1-palmitoyl-2-acyl-sn-glycero-3-phosphocholine (Q75082920)
- N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide(2-) (Q75082958)
- N-acyl-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine (Q75082960)
- ganglioside GD1b (Q75909571)
- Q76755316
- (5S,6S,15S)-5,6,15-Trihydroxyicosa-7,9,11,13,17-pentaenoic acid (Q82006911)
- PUBCHEM_56604977 (Q82655972)
- ephedrine/propyphenazone (Q83077856)
- N(6)-acyl-L-lysine (Q96583771)
- 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol (Q96604138)
- 1-(alpha,beta-saturated alkyl)-2-acyl-sn-glycero-3-phosphoethanolamine (Q96621315)
- 1-(Z-alk-1-enyl)-sn-glycero-3-phosphoethanolamine (Q96621328)
- 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolaminePE-Plasmalogen (Q96621337)
- S-alkyl-L-cysteine (Q96621369)
- N(2)-[(3R)-hydroxy-acyl]-L-ornithine (Q96623256)
- L-asparagine residue (Q96982741)
- N(4)-{alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc-yl}-L-Asn residue (Q96984393)
- alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-yl group (Q97038211)
- lysophosphatidylserine (Q98557120)
- R-S-Alanylglycine (Q105490249)
- DL-pyroglutamyl-DL-histidyl-DL-tryptophyl-DL-seryl-DL-tyrosyl-O-tert-butyl-DL-seryl-DL-leucyl-L-arginyl-N'-carbamoyl-DL-prolinehydrazide (Q106010799)
- D-alpha-amino acid zwitterion (Q106315111)
- N-acylsphingosine 1-phosphate(2-) (Q106328339)
- 1,2-diacyl-sn-glycero-3-phospho-N-methylethanolamine zwitterion (Q106328870)
- S-substituted L-cysteine zwitterion (Q106328894)
- N6-acyl-L-lysine zwitterion (Q106329490)
- 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol zwitterion (Q106329498)
- 1-(Z)-alk-1-enyl-sn-glycero-3-phosphoethanolamine zwitterion (Q106345029)
- aurone (Q106377581)
- N(5)-acyl-L-ornithine zwitterion (Q106571385)
- (4R)-6-chloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide (Q106640906)
- CVD-0013943 (Q106641023)
- B-type dehydrodicatechin (Q108874613)
- T-MAS (Q113196301)
- 4-methyl zymostenone (Q113196302)
- 4-methyl zymosterol (Q113196303)
- 4-methyl zymosterone (Q113196305)
- 4-methyl-4-carboxy zymostenone (Q113196306)
- 4-methyl-4-carboxy zymosterone (Q113196307)
- TNG462 (Q121503310)
- Leptosperin (Q121907457)
- hexahydrocannabihexol (Q122766884)
- HHC-acetate (Q122766921)
- hexahydrocannabiphorol (Q122766935)
- abeo-HHC acetate (Q123524115)
- jasmonic acid-isoleucine conjugate (Q124141012)
- Baihuaqianhuoside (Q125298243)
- Isothiocineole (Q127038035)
- 1-phosphatidyl-1D-myo-inositol 5-phosphate (Q130305192)
- PIP2[4',5'] (Q130305193)
- PIP2[3',4'] (Q130305197)
- PIP2[3',5'] (Q130305201)
- PIP3[3',4',5'] (Q130305209)
"Entity types" violations
[edit]Violations count: 0
"Type type of chemical entity (Q113145171), chemical element (Q11344), isotope (Q25276), functional group (Q170409), structural class of chemical entities (Q47154513), group of isomeric entities (Q15711994)" violations
[edit]Violations count: 106
- chlorophyll (Q43177): group of chemical entities (Q55640599)
- chitin (Q161219): polymer (Q81163), polysaccharide (Q134219)
- linear maltodextrin (Q177570): type of polymer (Q119896085)
- cardiolipin (Q183453): group or class of chemical substances (Q17339814)
- amylose (Q207466): type of polymer (Q119896085)
- amylopectin (Q271643): type of polymer (Q119896085)
- arginine glutamate (Q288119): type of mixture of chemical entities (Q119892838)
- carbapenem antibiotic (Q410897): group or class of chemical substances (Q17339814)
- isomalt (Q412068): equimolar mixture (Q21177113)
- invert sugar (Q412082): mixture (Q169336), Type of sugar (Q227790)
- gramicidin D (Q418980):
- Laminarin (Q423729): polysaccharide (Q134219)
- melittin (Q424512): peptide (Q172847), protein fragment (Q78782478)
- shellac (Q429659): painting material (Q3300034), coating (Q1570182), insect dye (Q66821499)
- fluticasone/salmeterol (Q581334): type of mixture of chemical entities (Q119892838)
- hydrocodone/paracetamol (Q595306): type of mixture of chemical entities (Q119892838)
- ibritumomab (Q635415): medication (Q12140), biopharmaceutical (Q679692), monoclonal antibody (Q422248)
- budesonide/formoterol (Q863389): chemical substance (Q79529), medication (Q12140), mixture (Q169336), essential medicine (Q35456)
- oligomycins (Q1076381): group of chemical entities (Q55640599)
- quinupristin/dalfopristin (Q1763990): mixture (Q169336), medication (Q12140)
- PAX8 (Q2046497): gene (Q7187)
- tenofovir/emtricitabine (Q2412859): type of mixture of chemical entities (Q119892838)
- sodium stibogluconate (Q2757844): type of mixture of chemical entities (Q119892838)
- amoxicillin/clavulanic acid (Q2870929): type of mixture of chemical entities (Q119892838)
- beta-cyfluthrin (Q2930038): type of mixture of chemical entities (Q119892838)
- inosine pranobex (Q3130053): mixture (Q169336), combination drug (Q1779868)
- phentermine/topiramate (Q3378713): medication (Q12140), chemical substance (Q79529), mixture (Q169336)
- penicillin G procaine (Q3435660): type of mixture of chemical entities (Q119892838)
- spinosad (Q3493529): type of mixture of chemical entities (Q119892838)
- lopinavir/ritonavir (Q3836750): type of mixture of chemical entities (Q119892838)
- Co-codamol (Q4357608):
- abacavir/lamivudine (Q4663143): medication (Q12140), mixture (Q169336), essential medicine (Q35456)
- alfaxolone/alfadolone (Q4721889): type of mixture of chemical entities (Q119892838)
- amlodipine/benazepril (Q4747074): drug (Q8386), medication (Q12140), chemical substance (Q79529), mixture (Q169336)
- amlodipine/valsartan (Q4747075): medication (Q12140), chemical substance (Q79529), mixture (Q169336)
- ampicillin/flucloxacillin (Q4748440): type of mixture of chemical entities (Q119892838)
- ampicillin/sulbactam (Q4748447): type of mixture of chemical entities (Q119892838)
- prostaglandin E (Q4860325): group or class of chemical substances (Q17339814), medication (Q12140)
- penimepicycline (Q4924638): type of mixture of chemical entities (Q119892838)
- brimonidine/timolol (Q4968132): type of mixture of chemical entities (Q119892838)
- bupropion/naltrexone (Q4998036): combination drug (Q1779868), chemical substance (Q79529), mixture (Q169336)
- levodopa/carbidopa (Q5037862): medication (Q12140), mixture (Q169336), essential medicine (Q35456), combination drug (Q1779868)
- dorzolamide/timolol (Q5299119): combination drug (Q1779868), medication (Q12140), chemical substance (Q79529), mixture (Q169336)
- ethinylestradiol/norethisterone acetate (Q5401863): medication (Q12140)
- imipenem/cilastatin (Q6004128): type of mixture of chemical entities (Q119892838)
- tobramycin/dexamethasone (Q6147773): mixture (Q169336), pharmaceutical product (Q28885102), combination drug (Q1779868)
- Sacubitril/valsartan (Q6457467): medication (Q12140), chemical substance (Q79529), mixture (Q169336)
- lamivudine/zidovudine (Q6482030): chemical substance (Q79529), medication (Q12140), mixture (Q169336), essential medicine (Q35456)
- latanoprost/timolol (Q6495092): type of mixture of chemical entities (Q119892838)
- mestranol/norethynodrel (Q6822155): type of mixture of chemical entities (Q119892838)
- Oxycodone/paracetamol (Q7115912): combination drug (Q1779868)
- piperacillin/tazobactam (Q7197337): type of mixture of chemical entities (Q119892838)
- sodium ferric gluconate complex (Q7553318): medication (Q12140), macromolecule (Q178593)
- carbidopa / levodopa / entacapone (Q7597226): medication (Q12140), chemical substance (Q79529), mixture (Q169336), combination drug (Q1779868)
- polymyxin B sulfate/trimethoprim (Q7842200): type of mixture of chemical entities (Q119892838)
- penicillin G procaine hydrate (Q13026783): type of mixture of chemical entities (Q119892838)
- MOPP (Q13860556): mixture (Q169336)
- Tegafur/gimeracil/oteracil (Q15410179): combination drug (Q1779868)
- bazedoxifene/conjugated estrogens (Q16274732): type of mixture of chemical entities (Q119892838)
- ezetimibe/atorvastatin (Q16992915): type of mixture of chemical entities (Q119892838)
- abacavir/dolutegravir/lamivudine (Q18208897): medication (Q12140), chemical substance (Q79529), mixture (Q169336)
- indacaterol/glycopyrrolate (Q20707624): mixture (Q169336), medication (Q12140)
- ceftazidime/avibactam (Q20973563): medication (Q12140), chemical substance (Q79529), mixture (Q169336)
- arginine vasopressin (Q21124841): protein (Q8054), vasopressin (Q66571917)
- 3-sn-phosphatidyl-L-serine (R) (Q22083042): lipid (Q11367), diacylglycerophosphoserine (Q65986425)
- prednazoline (Q27258839): type of mixture of chemical entities (Q119892838)
- acefylline/ephedrine (Q27264355): mixture (Q169336)
- prednazate (Q27265911): type of mixture of chemical entities (Q119892838)
- theophylline/ephedrine (Q27283071): mixture (Q169336)
- protactinocene (Q27962391): actinocene (Q20829265)
- 11-ketodihydrotestosterone (Q28132011): steroid hormone (Q422137)
- artesunate/mefloquine (Q28163619): medication (Q12140), essential medicine (Q35456), mixture (Q169336)
- estradiol/progesterone (Q28209424): type of mixture of chemical entities (Q119892838)
- ethinylestradiol/norelgestromin (Q28209704): medication (Q12140), combination drug (Q1779868)
- 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate (Q28797894): group or class of chemical substances (Q17339814)
- 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate (Q28797898): group or class of chemical substances (Q17339814)
- 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate (Q38133928): group of chemical entities (Q55640599)
- 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate (Q38135184): group of chemical entities (Q55640599)
- β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-acylsphingosine (R1) (Q39905739): group of chemical entities (Q55640599)
- α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucosylceramide (Q39908595): group of chemical entities (Q55640599)
- trans-3-enoyl-CoA (R1) (Q46224015):
- Ferrlecit (Q47521607): pharmaceutical product (Q28885102), macromolecule (Q178593)
- vitamin D1 (Q55344302): chemical substance (Q79529), mixture (Q169336)
- Pen-Strep (Q55629412): mixture (Q169336), antibiotic (Q12187)
- Amphoteronolide B (Q63212988): polypropionate (Q44320653)
- trisporic acids (Q64065213): group of chemical entities (Q55640599)
- angiotensin IV (Q66087802): angiotensins (Q65963433), protein fragment (Q78782478)
- ephedrine/propyphenazone (Q83077856): mixture (Q169336)
- L-asparagine residue (Q96982741): group or class of chemical entities (Q72070508)
- N(4)-{alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc-yl}-L-Asn residue (Q96984393): Hex(3)HexNAc(2)-L-Asn residue (Q96984993)
- alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-yl group (Q97038211): moiety (Q23005640)
- B-type dehydrodicatechin (Q108874613): mixture (Q169336)
- Leptosperin (Q121907457): chemical compound (Q11173)
- hexahydrocannabihexol (Q122766884): chemical compound (Q11173)
- HHC-acetate (Q122766921):
- hexahydrocannabiphorol (Q122766935): chemical compound (Q11173)
- Bis(η8-1,3,5,7-cyclooctatetraene)americium (Q122834534): hypothetical chemical compound (Q50308749)
- abeo-HHC acetate (Q123524115):
- jasmonic acid-isoleucine conjugate (Q124141012): chemical substance (Q79529)
- Baihuaqianhuoside (Q125298243): chemical compound (Q11173)
- Isothiocineole (Q127038035): chemical compound (Q11173)
- Valsartan Isopropyl Ester (Q130760598): chemical entity (Q43460564)
- serine methyl ester (Q131285652): chemical entity (Q43460564)
- 1,2,4-Trithiolane 1,4-dioxide (Q131354621): chemical entity (Q43460564)
- Acetaldazine (Q131363056): chemical entity (Q43460564)
- trans-1,2-Dibromo-1,2,3,4-tetrahydronaphthalene (Q131374899): chemical entity (Q43460564)