CAS RN: 128554-13-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C50H82N8O15
MOLECULAR WEIGHT: 1035.23068
SMILES: C/C=C(\C)/C(=O)C(C)/C=C(\C)/C1C(CCC(O1)(C(C)(C(=O)NC2C(OC(=O)C(NC(=O)C3CCCNN3C(=O)C(N(C(=O)C(N(C(=O)C4CCCNN4C2=O)O)COC)C)CC(C)C)C(C)O)C(C)C)O)O)C
Structure:
CAS RN: 127393-89-9
CAS Name: (2R,4S,5Z,7S,8S)-4,7,8-trihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
OPENEYE Name: (2R,4S,5Z,7S,8S)-4,7,8-trihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
IUPAC Name: (2R,4S,5Z,7S,8S)-4,7,8-trihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
SYSTEMATIC NAME: (2R,4S,5Z,7S,8S)-2-methyl-4,7,8-tris(oxidanyl)-2,3,4,7,8,9-hexahydrooxecin-10-one
MOLECULAR FORMULA: C10H16O5
MOLECULAR WEIGHT: 216.23104
SMILES: C[C@@H]1C[C@@H](/C=C\[C@@H]([C@H](CC(=O)O1)O)O)O
Structure:
CAS RN: 126518-41-0
CAS Name: (1S,3R,4S)-3-[(2E,4E,6E,8E,10Z,12S,17R,18S,19R,20E)-19-carbamoyloxy-11,18-dichloro-13,14,17-trihydroxy-6,12-dimethyl-1,15-dioxotricosa-2,4,6,8,10,20-hexaenoxy]-4-hydroxy-1-cyclohexanecarboxylic acid
OPENEYE Name: (1S,3R,4S)-3-[(2E,4E,6E,8E,10Z,12S,17R,18S,19R,20E)-19-carbamoyloxy-11,18-dichloro-13,14,17-trihydroxy-6,12-dimethyl-15-oxo-tricosa-2,4,6,8,10,20-hexaenoyl]oxy-4-hydroxy-cyclohexanecarboxylic acid
IUPAC Name: (1S,3R,4S)-3-[(2E,4E,6E,8E,10Z,12S,17R,18S,19R,20E)-19-carbamoyloxy-11,18-dichloro-13,14,17-trihydroxy-6,12-dimethyl-15-oxotricosa-2,4,6,8,10,20-hexaenoyl]oxy-4-hydroxycyclohexane-1-carboxylic acid
SYSTEMATIC NAME: (1S,3R,4S)-3-[(2E,4E,6E,8E,10Z,12S,17R,18S,19R,20E)-19-aminocarbonyloxy-11,18-bis(chloranyl)-6,12-dimethyl-13,14,17-tris(oxidanyl)-15-oxidanylidene-tricosa-2,4,6,8,10,20-hexaenoyl]oxy-4-oxidanyl-cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C33H45Cl2NO11
MOLECULAR WEIGHT: 702.6165
SMILES: CC/C=C/[C@H]([C@H]([C@@H](CC(=O)C(C([C@H](C)/C(=C/C=C/C=C(\C)/C=C/C=C/C(=O)O[C@@H]1C[C@H](CC[C@@H]1O)C(=O)O)/Cl)O)O)O)Cl)OC(=O)N
Structure:
CAS RN: 125989-10-8
CAS Name: (2S)-2-[[(Z,2S)-2-[[(2S)-2-[(3R)-3-amino-2-oxo-1-pyrrolidinyl]-4-methyl-1-oxopentyl]amino]-4-(methylthio)-1-oxobut-3-enyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propan-2-yl]pentanediamide
OPENEYE Name: (2S)-2-[[(Z,2S)-2-[[(2S)-2-[(3R)-3-amino-2-oxo-pyrrolidin-1-yl]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-but-3-enoyl]amino]-N-[(1S)-2-[[(1S)-1-benzyl-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]pentanediamide
IUPAC Name: (2S)-2-[[(Z,2S)-2-[[(2S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoyl]amino]-4-methylsulfanylbut-3-enoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propan-2-yl]pentanediamide
SYSTEMATIC NAME: (2S)-2-[[(Z,2S)-2-[[(2S)-2-[(3R)-3-azanyl-2-oxidanylidene-pyrrolidin-1-yl]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-but-3-enoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]propan-2-yl]pentanediami
MOLECULAR FORMULA: C40H52N8O7S
MOLECULAR WEIGHT: 788.95528
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](/C=C\SC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=CC=C3)C=O)N4CC[C@H](C4=O)N
Structure:
CAS RN: 124190-21-2
CAS Name: (2S,4Z)-2-[(2R)-2-[(1R,2E,4R,6E)-1,4-dihydroxynona-2,6-dienyl]cyclopropyl]-3,6,7,8-tetrahydro-2H-oxonin-9-one
OPENEYE Name: (2S,4Z)-2-[(2R)-2-[(1R,2E,4R,6E)-1,4-dihydroxynona-2,6-dienyl]cyclopropyl]-3,6,7,8-tetrahydro-2H-oxonin-9-one
IUPAC Name: (2S,4Z)-2-[(2R)-2-[(1R,2E,4R,6E)-1,4-dihydroxynona-2,6-dienyl]cyclopropyl]-3,6,7,8-tetrahydro-2H-oxonin-9-one
SYSTEMATIC NAME: (2S,4Z)-2-[(2R)-2-[(1R,2E,4R,6E)-1,4-bis(oxidanyl)nona-2,6-dienyl]cyclopropyl]-3,6,7,8-tetrahydro-2H-oxonin-9-one
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: CC/C=C/C[C@H](/C=C/[C@H]([C@@H]1CC1[C@@H]2C/C=C\CCCC(=O)O2)O)O
Structure:
CAS RN: 122548-04-3
CAS Name: (2S,3R)-2-amino-N-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)-1-oxopropyl]-N-[(2S)-2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-3-hydroxybutanamide
OPENEYE Name: (2S,3R)-2-amino-N-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-[(2S)-2-[[(Z)-2-(6-bromo-1H-indol-3-yl)vinyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxy-butanamide
IUPAC Name: (2S,3R)-2-amino-N-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-[(2S)-2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxybutanamide
SYSTEMATIC NAME: (2S,3R)-2-azanyl-N-[(2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoyl]-N-[(2S)-2-[[(Z)-2-(6-bromanyl-1H-indol-3-yl)ethenyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-3-oxidanyl-butanamide
MOLECULAR FORMULA: C29H32BrN7O6
MOLECULAR WEIGHT: 654.51168
SMILES: C[C@H]([C@@H](C(=O)N(C(=O)[C@H](CC1=CC(=C(C=C1)O)O)N)C(=O)[C@H](CC2=CN=CN2)N/C=C\C3=CNC4=C3C=CC(=C4)Br)N)O
Structure:
CAS RN: 121923-95-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H26O3
MOLECULAR WEIGHT: 290.39724
SMILES: CCC1C2CC3C(C2/C=C/C/C=C/CCCCC(=O)O1)O3
Structure:
CAS RN: 119259-74-4
CAS Name: (2E,4E)-7-hydroxy-N-[3-hydroxy-1-[[(3Z)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]dodeca-2,4-dienamide
OPENEYE Name: (2E,4E)-7-hydroxy-N-[2-hydroxy-1-[[(3Z)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]dodeca-2,4-dienamide
IUPAC Name: (2E,4E)-7-hydroxy-N-[3-hydroxy-1-[[(3Z)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]dodeca-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-N-[1-[[(3Z)-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-3-en-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-7-oxidanyl-dodeca-2,4-dienamide
MOLECULAR FORMULA: C27H44N4O7
MOLECULAR WEIGHT: 536.66086
SMILES: CCCCCC(C/C=C/C=C/C(=O)NC(C(C)O)C(=O)NC1CC(CCNC(=O)/C=C\C(NC1=O)C)O)O
Structure:
CAS RN: 119259-73-3
CAS Name: (2E,4E)-10-hydroxy-N-[3-hydroxy-1-[[(3Z)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]dodeca-2,4-dienamide
OPENEYE Name: (2E,4E)-10-hydroxy-N-[2-hydroxy-1-[[(3Z)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]dodeca-2,4-dienamide
IUPAC Name: (2E,4E)-10-hydroxy-N-[3-hydroxy-1-[[(3Z)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]dodeca-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-N-[1-[[(3Z)-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-3-en-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-10-oxidanyl-dodeca-2,4-dienamide
MOLECULAR FORMULA: C27H44N4O7
MOLECULAR WEIGHT: 536.66086
SMILES: CCC(CCCC/C=C/C=C/C(=O)NC(C(C)O)C(=O)NC1CC(CCNC(=O)/C=C\C(NC1=O)C)O)O
Structure:
CAS RN: 119259-72-2
CAS Name: (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]deca-2,4-dienamide
OPENEYE Name: (2E,4E)-N-[(1S,2R)-2-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]deca-2,4-dienamide
IUPAC Name: (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]deca-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-N-[(2S,3R)-1-[[(3Z,5S,8S,10S)-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-3-en-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]deca-2,4-dienamide
MOLECULAR FORMULA: C25H40N4O6
MOLECULAR WEIGHT: 492.6083
SMILES: CCCCC/C=C/C=C/C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C[C@H](CCNC(=O)/C=C\[C@@H](NC1=O)C)O
Structure:
CAS RN: 119259-71-1
CAS Name: (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5R,8S,10S)-10-hydroxy-5-(hydroxymethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]dodeca-2,4-dienamide
OPENEYE Name: (2E,4E)-N-[(1S,2R)-2-hydroxy-1-[[(3Z,5R,8S,10S)-10-hydroxy-5-(hydroxymethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]dodeca-2,4-dienamide
IUPAC Name: (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5R,8S,10S)-10-hydroxy-5-(hydroxymethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]dodeca-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-N-[(2S,3R)-1-[[(3Z,5R,8S,10S)-5-(hydroxymethyl)-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-3-en-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodeca-2,4-dienamide
MOLECULAR FORMULA: C27H44N4O7
MOLECULAR WEIGHT: 536.66086
SMILES: CCCCCCC/C=C/C=C/C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C[C@H](CCNC(=O)/C=C\[C@@H](NC1=O)CO)O
Structure:
CAS RN: 118477-03-5
CAS Name: (E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methyl-N-[(3S)-2-oxo-3-azepanyl]-6-nonenamide
OPENEYE Name: (E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methyl-N-[(3S)-2-oxoazepan-3-yl]non-6-enamide
IUPAC Name: (E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methyl-N-[(3S)-2-oxoazepan-3-yl]non-6-enamide
SYSTEMATIC NAME: (E,2R,3R,4S,5R)-2-methoxy-8-methyl-3,4,5-tris(oxidanyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]non-6-enamide
MOLECULAR FORMULA: C17H30N2O6
MOLECULAR WEIGHT: 358.4299
SMILES: CC(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]1CCCCNC1=O)OC)O)O)O
Structure:
CAS RN: 117778-57-1
CAS Name: (2E,4E,6E,8E)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E,7E)-9-[(2-hydroxy-5-oxo-1-cyclopentenyl)amino]-9-oxonona-1,3,5,7-tetraenyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenamide
OPENEYE Name: (2E,4E,6E,8E)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E,7E)-9-[(2-hydroxy-5-oxo-cyclopenten-1-yl)amino]-9-oxo-nona-1,3,5,7-tetraenyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenamide
IUPAC Name: (2E,4E,6E,8E)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E,7E)-9-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-9-oxonona-1,3,5,7-tetraenyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenamide
SYSTEMATIC NAME: (2E,4E,6E,8E)-N-[(1S,5S,6R)-5-oxidanyl-2-oxidanylidene-5-[(1E,3E,5E,7E)-9-oxidanylidene-9-[(2-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)amino]nona-1,3,5,7-tetraenyl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4,6,8-tetraenamide
MOLECULAR FORMULA: C30H30N2O7
MOLECULAR WEIGHT: 530.5684
SMILES: C/C=C/C=C/C=C/C=C/C(=O)NC1=C[C@]([C@H]2[C@@H](C1=O)O2)(/C=C/C=C/C=C/C=C/C(=O)NC3=C(CCC3=O)O)O
Structure:
CAS RN: 115909-22-3
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-[[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl]oxymethyl]-3-oxanyl] ester
OPENEYE Name: [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxy-phenyl)ethoxy]-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-[[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl] (E)-3-(4-hydroxy-3-methoxy-p
IUPAC Name: [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3R,4R,5R,6R)-6-[2-(4-methoxy-3-oxidanyl-phenyl)ethoxy]-4-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-2-[[(2S,3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C36H48O19
MOLECULAR WEIGHT: 784.75492
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)CO[C@H]4[C@@H]([C@H]([C@H](CO4)O)O)O)OCCC5=CC(=C(C=C5)OC)O)O)O)O)O
Structure:
CAS RN: 115406-25-2
CAS Name: N-[(E)-heptadec-1-enyl]carbamic acid [(2R)-3-[hydroxy-[2-(2H-thiazol-3-yl)ethoxy]phosphoryl]oxy-2-(3-isoxazolyloxy)propyl] ester
OPENEYE Name: [(2R)-3-[hydroxy-[2-(2H-thiazol-3-yl)ethoxy]phosphoryl]oxy-2-isoxazol-3-yloxy-propyl] N-[(E)-heptadec-1-enyl]carbamate
IUPAC Name: [(2R)-3-[hydroxy-[2-(2H-1,3-thiazol-3-yl)ethoxy]phosphoryl]oxy-2-(1,2-oxazol-3-yloxy)propyl] N-[(E)-heptadec-1-enyl]carbamate
SYSTEMATIC NAME: [(2R)-2-(1,2-oxazol-3-yloxy)-3-[oxidanyl-[2-(2H-1,3-thiazol-3-yl)ethoxy]phosphoryl]oxy-propyl] N-[(E)-heptadec-1-enyl]carbamate
MOLECULAR FORMULA: C29H50N3O8PS
MOLECULAR WEIGHT: 631.761361
SMILES: CCCCCCCCCCCCCCC/C=C/NC(=O)OC[C@H](COP(=O)(O)OCCN1CSC=C1)OC2=NOC=C2
Structure:
CAS RN: 114763-51-8
CAS Name: (2R,3R,3aR,6E,10E,11aR)-3,5',5',6,10-pentamethylspiro[3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2,2'-furan]
OPENEYE Name: (2R,3R,3aR,6E,10E,11aR)-3,5',5',6,10-pentamethylspiro[3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2,2'-furan]
IUPAC Name: (2R,3R,3aR,6E,10E,11aR)-3,5',5',6,10-pentamethylspiro[3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2,2'-furan]
SYSTEMATIC NAME: (2R,3R,3aR,6E,10E,11aR)-3,5',5',6,10-pentamethylspiro[3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2,2'-furan]
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: C[C@@H]1[C@H]2CC/C(=C/CC/C(=C/[C@@H]2O[C@@]13C=CC(O3)(C)C)/C)/C
Structure:
CAS RN: 114694-09-6
CAS Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-(8-hydroxy-8-methylnonan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-(7-hydroxy-1,7-dimethyl-octyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-(8-hydroxy-8-methylnonan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(8-methyl-8-oxidanyl-nonan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C29H48O3
MOLECULAR WEIGHT: 444.68962
SMILES: CC(CCCCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C
Structure:
CAS RN: 114301-25-6
CAS Name: (E)-2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-phosphono-3-pentenoic acid
OPENEYE Name: (E)-2-[(2-amino-5-guanidino-pentanoyl)amino]-5-phosphono-pent-3-enoic acid
IUPAC Name: (E)-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-phosphonopent-3-enoic acid
SYSTEMATIC NAME: (E)-2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-phosphono-pent-3-enoic acid
MOLECULAR FORMULA: C11H22N5O6P
MOLECULAR WEIGHT: 351.296041
SMILES: C(CC(C(=O)NC(/C=C/CP(=O)(O)O)C(=O)O)N)CN=C(N)N
Structure:
CAS RN: 114297-20-0
CAS Name: (2R)-2-hydroxy-N-[(3R,4E,8E)-3-hydroxy-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]octadeca-4,8-dien-2-yl]hexadecanamide
OPENEYE Name: (2R)-2-hydroxy-N-[(2R,3E,7E)-2-hydroxy-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadeca-3,7-dienyl]hexadecanamide
IUPAC Name: (2R)-2-hydroxy-N-[(3R,4E,8E)-3-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide
SYSTEMATIC NAME: (2R)-N-[(3R,4E,8E)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadeca-4,8-dien-2-yl]-2-oxidanyl-hexadecanamide
MOLECULAR FORMULA: C40H75NO9
MOLECULAR WEIGHT: 714.0248
SMILES: CCCCCCCCCCCCCC[C@H](C(=O)NC(CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CC/C=C/CCCCCCCCC)O)O
Structure:
CAS RN: 114216-87-4
CAS Name: (4aS,7R,8S,8aR)-8-[(E)-5-(6-imino-1,3-dimethyl-2H-purin-7-yl)-3-methylpent-3-enyl]-4,4,7,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol
OPENEYE Name: (1S,2R,4aS,8aR)-1-[(E)-5-(6-imino-1,3-dimethyl-2H-purin-7-yl)-3-methyl-pent-3-enyl]-1,2,5,5-tetramethyl-decalin-4a-ol
IUPAC Name: (4aS,7R,8S,8aR)-8-[(E)-5-(6-imino-1,3-dimethyl-2H-purin-7-yl)-3-methylpent-3-enyl]-4,4,7,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol
SYSTEMATIC NAME: (4aS,7R,8S,8aR)-8-[(E)-5-(6-azanylidene-1,3-dimethyl-2H-purin-7-yl)-3-methyl-pent-3-enyl]-4,4,7,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol
MOLECULAR FORMULA: C27H45N5O
MOLECULAR WEIGHT: 455.6791
SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/CN3C=NC4=C3C(=N)N(CN4C)C)/C)CCCC2(C)C)O
Structure:
CAS RN: 114216-85-2
CAS Name: (4aS,7R,8S,8aR)-4,4,7,8-tetramethyl-8-[(E)-3-methyl-5-(3-methyl-6-methylimino-7-purinyl)pent-3-enyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol
OPENEYE Name: (1S,2R,4aS,8aR)-1,2,5,5-tetramethyl-1-[(E)-3-methyl-5-(3-methyl-6-methylimino-purin-7-yl)pent-3-enyl]decalin-4a-ol
IUPAC Name: (4aS,7R,8S,8aR)-4,4,7,8-tetramethyl-8-[(E)-3-methyl-5-(3-methyl-6-methyliminopurin-7-yl)pent-3-enyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol
SYSTEMATIC NAME: (4aS,7R,8S,8aR)-4,4,7,8-tetramethyl-8-[(E)-3-methyl-5-(3-methyl-6-methylimino-purin-7-yl)pent-3-enyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol
MOLECULAR FORMULA: C27H43N5O
MOLECULAR WEIGHT: 453.66322
SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/CN3C=NC4=C3C(=NC)N=CN4C)/C)CCCC2(C)C)O
Structure:
CAS RN: 113490-39-4
CAS Name: (6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-(3-methylene-4-oxanylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-2-heptanol
OPENEYE Name: (6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-(3-methylenetetrahydropyran-4-ylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptan-2-ol
IUPAC Name: (6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-(3-methylideneoxan-4-ylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol
SYSTEMATIC NAME: (6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-(3-methylideneoxan-4-ylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptan-2-ol
MOLECULAR FORMULA: C26H42O2
MOLECULAR WEIGHT: 386.61048
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\CCOCC3=C)C
Structure:
CAS RN: 113490-37-2
CAS Name: (3E)-3-[(2E)-2-[(1R,3aR,7aS)-1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylenepentane-1,5-diol
OPENEYE Name: (3E)-3-[(2E)-2-[(1R,3aR,7aS)-1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylene-pentane-1,5-diol
IUPAC Name: (3E)-3-[(2E)-2-[(1R,3aR,7aS)-1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenepentane-1,5-diol
SYSTEMATIC NAME: (3E)-3-[(2E)-2-[(1R,3aR,7aS)-7a-methyl-1-(6-methyl-6-oxidanyl-heptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-pentane-1,5-diol
MOLECULAR FORMULA: C26H44O3
MOLECULAR WEIGHT: 404.62576
SMILES: CC(CCCC(C)(C)O)[C@H]1CC[C@H]\2[C@]1(CCC/C2=C\C=C(/CCO)\C(=C)CO)C
Structure:
CAS RN: 113009-52-2
CAS Name: 1-methyl-4-[(E)-2-(1-naphthalenyl)ethenyl]-3,6-dihydro-2H-pyridine hydrochloride
OPENEYE Name: 1-methyl-4-[(E)-2-(1-naphthyl)vinyl]-3,6-dihydro-2H-pyridine hydrochloride
IUPAC Name: 1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]-3,6-dihydro-2H-pyridine hydrochloride
SYSTEMATIC NAME: 1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]-3,6-dihydro-2H-pyridine hydrochloride
MOLECULAR FORMULA: C18H20ClN
MOLECULAR WEIGHT: 285.8111
SMILES: CN1CCC(=CC1)/C=C/C2=CC=CC3=CC=CC=C32.Cl
Structure:
CAS RN: 112757-40-1
CAS Name: (E)-9-octadecenoic acid [(3S,5S,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-15-oxo-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,5S,9R,10S,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
IUPAC Name: [(3S,5S,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-15-oxo-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [(3S,5S,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-15-oxidanylidene-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C45H76O3
MOLECULAR WEIGHT: 665.08314
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1)CCC3=C4C(=O)C[C@@H]([C@]4(CC[C@@H]32)C)[C@H](C)CCCC(C)C)C
Structure:
CAS RN: 111465-40-8
CAS Name: (3R,5R,6R)-3-amino-N-(3-amino-3-iminopropyl)-5-hydroxy-6-[[(2E,4E)-1-oxohexa-2,4-dienyl]amino]heptanamide
OPENEYE Name: (3R,5R,6R)-3-amino-N-(3-amino-3-imino-propyl)-6-[[(2E,4E)-hexa-2,4-dienoyl]amino]-5-hydroxy-heptanamide
IUPAC Name: (3R,5R,6R)-3-amino-N-(3-amino-3-iminopropyl)-6-[[(2E,4E)-hexa-2,4-dienoyl]amino]-5-hydroxyheptanamide
SYSTEMATIC NAME: (3R,5R,6R)-3-azanyl-N-(3-azanyl-3-azanylidene-propyl)-6-[[(2E,4E)-hexa-2,4-dienoyl]amino]-5-oxidanyl-heptanamide
MOLECULAR FORMULA: C16H29N5O3
MOLECULAR WEIGHT: 339.43316
SMILES: C/C=C/C=C/C(=O)N[C@H](C)[C@@H](C[C@H](CC(=O)NCCC(=N)N)N)O
Structure:
CAS RN: 111394-45-7
CAS Name: 5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-2,3-dimethoxyphenol
OPENEYE Name: 5-[(Z)-2-(3-hydroxy-4-methoxy-phenyl)vinyl]-2,3-dimethoxy-phenol
IUPAC Name: 5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-2,3-dimethoxyphenol
SYSTEMATIC NAME: 2,3-dimethoxy-5-[(Z)-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]phenol
MOLECULAR FORMULA: C17H18O5
MOLECULAR WEIGHT: 302.32182
SMILES: COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)O)O
Structure:
CAS RN: 111337-85-0
CAS Name: (3R,5R,6R)-3-amino-N-(3-amino-3-iminopropyl)-5-hydroxy-6-[[(2E,4Z)-1-oxohexa-2,4-dienyl]amino]heptanamide
OPENEYE Name: (3R,5R,6R)-3-amino-N-(3-amino-3-imino-propyl)-6-[[(2E,4Z)-hexa-2,4-dienoyl]amino]-5-hydroxy-heptanamide
IUPAC Name: (3R,5R,6R)-3-amino-N-(3-amino-3-iminopropyl)-6-[[(2E,4Z)-hexa-2,4-dienoyl]amino]-5-hydroxyheptanamide
SYSTEMATIC NAME: (3R,5R,6R)-3-azanyl-N-(3-azanyl-3-azanylidene-propyl)-6-[[(2E,4Z)-hexa-2,4-dienoyl]amino]-5-oxidanyl-heptanamide
MOLECULAR FORMULA: C16H29N5O3
MOLECULAR WEIGHT: 339.43316
SMILES: C/C=C\C=C\C(=O)N[C@H](C)[C@@H](C[C@H](CC(=O)NCCC(=N)N)N)O
Structure:
CAS RN: 111337-84-9
CAS Name: (3R,5R)-3-amino-N-(3-amino-3-iminopropyl)-5-hydroxy-6-[[(2E,4E)-1-oxohexa-2,4-dienyl]amino]hexanamide
OPENEYE Name: (3R,5R)-3-amino-N-(3-amino-3-imino-propyl)-6-[[(2E,4E)-hexa-2,4-dienoyl]amino]-5-hydroxy-hexanamide
IUPAC Name: (3R,5R)-3-amino-N-(3-amino-3-iminopropyl)-6-[[(2E,4E)-hexa-2,4-dienoyl]amino]-5-hydroxyhexanamide
SYSTEMATIC NAME: (3R,5R)-3-azanyl-N-(3-azanyl-3-azanylidene-propyl)-6-[[(2E,4E)-hexa-2,4-dienoyl]amino]-5-oxidanyl-hexanamide
MOLECULAR FORMULA: C15H27N5O3
MOLECULAR WEIGHT: 325.40658
SMILES: C/C=C/C=C/C(=O)NC[C@@H](C[C@H](CC(=O)NCCC(=N)N)N)O
Structure:
CAS RN: 111319-88-1
CAS Name: (5Z)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-1,3a,4,5,6,6a-hexahydropentalen-2-ylidene]pentanoic acid
OPENEYE Name: (5Z)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-1,3a,4,5,6,6a-hexahydropentalen-2-ylidene]pentanoic acid
IUPAC Name: (5Z)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-1,3a,4,5,6,6a-hexahydropentalen-2-ylidene]pentanoic acid
SYSTEMATIC NAME: (5Z)-5-[(3aS,4R,5R,6aS)-5-oxidanyl-3-oxidanylidene-4-[(E,3S)-3-oxidanyloct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-ylidene]pentanoic acid
MOLECULAR FORMULA: C21H32O5
MOLECULAR WEIGHT: 364.47578
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C(=O)/C(=C\CCCC(=O)O)/C2)O)O
Structure:
CAS RN: 111278-01-4
CAS Name: (2E,10E,12E,16E,18E)-6-hydroxy-3,5,7,9,11,15,17-heptamethyl-8-oxo-19-(6-oxo-2,3-dihydropyran-2-yl)nonadeca-2,10,12,16,18-pentaenoic acid
OPENEYE Name: (2E,10E,12E,16E,18E)-6-hydroxy-3,5,7,9,11,15,17-heptamethyl-8-oxo-19-(6-oxo-2,3-dihydropyran-2-yl)nonadeca-2,10,12,16,18-pentaenoic acid
IUPAC Name: (2E,10E,12E,16E,18E)-6-hydroxy-3,5,7,9,11,15,17-heptamethyl-8-oxo-19-(6-oxo-2,3-dihydropyran-2-yl)nonadeca-2,10,12,16,18-pentaenoic acid
SYSTEMATIC NAME: (2E,10E,12E,16E,18E)-3,5,7,9,11,15,17-heptamethyl-6-oxidanyl-8-oxidanylidene-19-(6-oxidanylidene-2,3-dihydropyran-2-yl)nonadeca-2,10,12,16,18-pentaenoic acid
MOLECULAR FORMULA: C31H44O6
MOLECULAR WEIGHT: 512.67746
SMILES: CC(C/C=C/C(=C/C(C)C(=O)C(C)C(C(C)C/C(=C/C(=O)O)/C)O)/C)/C=C(\C)/C=C/C1CC=CC(=O)O1
Structure:
CAS RN: 111278-00-3
CAS Name: (2E,10E,12E,16E,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-19-(6-oxo-2,3-dihydropyran-2-yl)nonadeca-2,10,12,16,18-pentaenoic acid
OPENEYE Name: (2E,10E,12E,16E,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-19-(6-oxo-2,3-dihydropyran-2-yl)nonadeca-2,10,12,16,18-pentaenoic acid
IUPAC Name: (2E,10E,12E,16E,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-19-(6-oxo-2,3-dihydropyran-2-yl)nonadeca-2,10,12,16,18-pentaenoic acid
SYSTEMATIC NAME: (2E,10E,12E,16E,18E)-17-ethyl-3,5,7,9,11,15-hexamethyl-6-oxidanyl-8-oxidanylidene-19-(6-oxidanylidene-2,3-dihydropyran-2-yl)nonadeca-2,10,12,16,18-pentaenoic acid
MOLECULAR FORMULA: C32H46O6
MOLECULAR WEIGHT: 526.70404
SMILES: CC/C(=C\C(C)C/C=C/C(=C/C(C)C(=O)C(C)C(C(C)C/C(=C/C(=O)O)/C)O)/C)/C=C/C1CC=CC(=O)O1
Structure:
CAS RN: 110231-34-0
CAS Name: (5Z,7Z,21E)-4-ethyl-11,12,15,19,26-pentahydroxy-6'-(2-hydroxypropyl)-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-3',13,17,23-tetrone
OPENEYE Name: (5Z,7Z,21E)-4-ethyl-11,12,15,19,26-pentahydroxy-6'-(2-hydroxypropyl)-5',10,12,14,16,18,20,26,29-nonamethyl-spiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-tetrahydropyran]-3',13,17,23-tetrone
IUPAC Name: (5Z,7Z,21E)-4-ethyl-11,12,15,19,26-pentahydroxy-6'-(2-hydroxypropyl)-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-3',13,17,23-tetrone
SYSTEMATIC NAME: (5Z,7Z,21E)-4-ethyl-5',10,12,14,16,18,20,26,29-nonamethyl-11,12,15,19,26-pentakis(oxidanyl)-6'-(2-oxidanylpropyl)spiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-3',13,17,23-tetrone
MOLECULAR FORMULA: C45H72O13
MOLECULAR WEIGHT: 821.04538
SMILES: CCC\1CCC2C(C(C(C3(O2)C(=O)CC(C(O3)CC(C)O)C)(C)O)OC(=O)/C=C/C(C(C(C(=O)C(C(C(C(=O)C(C(C(C/C=C\C=C1)C)O)(C)O)C)O)C)C)O)C)C
Structure:
CAS RN: 110231-33-9
CAS Name: (E)-4-acetyloxy-2-amino-3,5,14-trihydroxy-6-eicosenoic acid
OPENEYE Name: (E)-4-acetoxy-2-amino-3,5,14-trihydroxy-icos-6-enoic acid
IUPAC Name: (E)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid
SYSTEMATIC NAME: (E)-4-acetyloxy-2-azanyl-3,5,14-tris(oxidanyl)icos-6-enoic acid
MOLECULAR FORMULA: C22H41NO7
MOLECULAR WEIGHT: 431.56344
SMILES: CCCCCCC(CCCCCC/C=C/C(C(C(C(C(=O)O)N)O)OC(=O)C)O)O
Structure:
CAS RN: 109010-68-6
CAS Name: 3-[(Z)-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid
OPENEYE Name: 3-[(Z)-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid
IUPAC Name: 3-[(Z)-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid
SYSTEMATIC NAME: 3-[(Z)-[(3aR,4R,5R,6aS)-5-oxidanyl-4-[(E,3S)-3-oxidanyloct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid
MOLECULAR FORMULA: C23H30O5
MOLECULAR WEIGHT: 386.4813
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/C3=CC(=CC=C3)C(=O)O)/O2)O)O
Structure:
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