CAS RN: 119993-48-5
CAS Name: (7S,8S)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-2-benzopyran-6-one
OPENEYE Name: (7S,8S)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one
IUPAC Name: (7S,8S)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one
SYSTEMATIC NAME: (7S,8S)-5-chloranyl-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-7,8-bis(oxidanyl)-8H-isochromen-6-one
MOLECULAR FORMULA: C19H23ClO4
MOLECULAR WEIGHT: 350.83652
SMILES: CCC(C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@@]([C@H](C2=CO1)O)(C)O)Cl
Structure:
CAS RN: 119944-79-5
CAS Name: (2E)-2-[2-[(1S,4aR,8aR)-5,5,8a-trimethyl-1-spiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]yl]ethylidene]butanedial
OPENEYE Name: (2E)-2-[2-[(1S,4aR,8aR)-5,5,8a-trimethylspiro[decalin-2,2'-oxirane]-1-yl]ethylidene]butanedial
IUPAC Name: (2E)-2-[2-[(1S,4aR,8aR)-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]ethylidene]butanedial
SYSTEMATIC NAME: (2E)-2-[2-[(1S,4aR,8aR)-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]ethylidene]butanedial
MOLECULAR FORMULA: C20H30O3
MOLECULAR WEIGHT: 318.4504
SMILES: C[C@@]12CCCC([C@H]1CCC3([C@H]2C/C=C(\CC=O)/C=O)CO3)(C)C
Structure:
CAS RN: 90029-85-9
CAS Name: (E)-3-[3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methyl-2,6-dioxo-1-pyrimidinyl]-2-propenal
OPENEYE Name: (E)-3-[3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-2,6-dioxo-pyrimidin-1-yl]prop-2-enal
IUPAC Name: (E)-3-[3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]prop-2-enal
SYSTEMATIC NAME: (E)-3-[3-[(2S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]prop-2-enal
MOLECULAR FORMULA: C13H16N2O6
MOLECULAR WEIGHT: 296.27594
SMILES: CC1=CN(C(=O)N(C1=O)/C=C/C=O)[C@@H]2C[C@@H]([C@H](O2)CO)O
Structure:
CAS RN: 90029-73-5
CAS Name: (E)-3-(6-aminopurin-9-yl)-2-propenal
OPENEYE Name: (E)-3-(6-aminopurin-9-yl)prop-2-enal
IUPAC Name: (E)-3-(6-aminopurin-9-yl)prop-2-enal
SYSTEMATIC NAME: (E)-3-(6-aminopurin-9-yl)prop-2-enal
MOLECULAR FORMULA: C8H7N5O
MOLECULAR WEIGHT: 189.17408
SMILES: C1=NC2=C(C(=N1)N)N=CN2/C=C/C=O
Structure:
CAS RN: 119839-97-3
CAS Name: (1R,5Z)-5-[(2E)-2-[(7aR)-1-[(2R)-6-[difluoro(methoxy)methyl]-7,7,7-trifluoroheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,5Z)-5-[(2E)-2-[(7aR)-1-[(1R)-5-[difluoro(methoxy)methyl]-6,6,6-trifluoro-1-methyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,5Z)-5-[(2E)-2-[(7aR)-1-[(2R)-6-[difluoro(methoxy)methyl]-7,7,7-trifluoroheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,5Z)-5-[(2E)-2-[(7aR)-1-[(2R)-6-[bis(fluoranyl)-methoxy-methyl]-7,7,7-tris(fluoranyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C28H41F5O3
MOLECULAR WEIGHT: 520.615356
SMILES: C[C@H](CCCC(C(OC)(F)F)C(F)(F)F)C1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CC(C3=C)O)O)C
Structure:
CAS RN: 119785-54-5
CAS Name: (E)-7-[3-[(hexylthio)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-5-heptenoic acid
OPENEYE Name: (E)-7-[3-(hexylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
IUPAC Name: (E)-7-[3-(hexylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[3-(hexylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
MOLECULAR FORMULA: C20H34O3S
MOLECULAR WEIGHT: 354.54716
SMILES: CCCCCCSCC1C2CCC(C1C/C=C/CCCC(=O)O)O2
Structure:
CAS RN: 119757-73-2
CAS Name: 3-hydroxy-3-(4-methyl-2,5-dioxo-3-furanyl)propanoic acid [(16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl] ester
OPENEYE Name: [(15E)-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5,14-dioxo-octadeca-15,17-dienyl] 3-hydroxy-3-(4-methyl-2,5-dioxo-3-furyl)propanoate
IUPAC Name: [(16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl] 3-hydroxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
SYSTEMATIC NAME: [(16E)-17-ethyl-3,7,11,13-tetramethyl-4,8-bis(oxidanyl)-6,15-bis(oxidanylidene)nonadeca-16,18-dien-2-yl] 3-[4-methyl-2,5-bis(oxidanylidene)furan-3-yl]-3-oxidanyl-propanoate
MOLECULAR FORMULA: C33H50O10
MOLECULAR WEIGHT: 606.7441
SMILES: CC/C(=C\C(=O)CC(C)CC(C)CCC(C(C)C(=O)CC(C(C)C(C)OC(=O)CC(C1=C(C(=O)OC1=O)C)O)O)O)/C=C
Structure:
CAS RN: 119738-64-6
CAS Name: N,N-dibutyl-4-[(1E,3E)-4-[1-[3-(diethylamino)propyl]-4-pyridin-1-iumyl]buta-1,3-dienyl]aniline
OPENEYE Name: N,N-dibutyl-4-[(1E,3E)-4-[1-[3-(diethylamino)propyl]pyridin-1-ium-4-yl]buta-1,3-dienyl]aniline
IUPAC Name: N,N-dibutyl-4-[(1E,3E)-4-[1-[3-(diethylamino)propyl]pyridin-1-ium-4-yl]buta-1,3-dienyl]aniline
SYSTEMATIC NAME: N,N-dibutyl-4-[(1E,3E)-4-[1-[3-(diethylamino)propyl]pyridin-1-ium-4-yl]buta-1,3-dienyl]aniline
MOLECULAR FORMULA: C30H46N3+
MOLECULAR WEIGHT: 448.70634
SMILES: CCCCN(CCCC)C1=CC=C(C=C1)/C=C/C=C/C2=CC=[N+](C=C2)CCCN(CC)CC
Structure:
CAS RN: 89315-60-6
CAS Name: (9E,12E)-octadeca-9,12-dienoic acid [3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-[(9E,12E)-1-oxooctadeca-9,12-dienoxy]propyl] ester
OPENEYE Name: [3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] (9E,12E)-octadeca-9,12-dienoate
IUPAC Name: [3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxypropyl] (9E,12E)-octadeca-9,12-dienoate
SYSTEMATIC NAME: [3-[2,3-bis(oxidanyl)propoxy-oxidanyl-phosphoryl]oxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] (9E,12E)-octadeca-9,12-dienoate
MOLECULAR FORMULA: C42H75O10P
MOLECULAR WEIGHT: 771.012661
SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC
Structure:
CAS RN: 67880-32-4
CAS Name: (6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethyl-4-hexadeca-2,6,10,14-tetraenone
OPENEYE Name: (6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethyl-hexadeca-2,6,10,14-tetraen-4-one
IUPAC Name: (6E,10E,14E)-16-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-4-one
SYSTEMATIC NAME: (6E,10E,14E)-2,6,10,14-tetramethyl-16-oxidanyl-hexadeca-2,6,10,14-tetraen-4-one
MOLECULAR FORMULA: C20H32O2
MOLECULAR WEIGHT: 304.46688
SMILES: CC(=CC(=O)C/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C
Structure:
CAS RN: 88929-43-5
CAS Name: (6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-1-octacosa-6,10,14,18,22,26-hexaenol
OPENEYE Name: (6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-6,10,14,18,22,26-hexaen-1-ol
IUPAC Name: (6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-6,10,14,18,22,26-hexaen-1-ol
SYSTEMATIC NAME: (6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-6,10,14,18,22,26-hexaen-1-ol
MOLECULAR FORMULA: C35H60O
MOLECULAR WEIGHT: 496.8503
SMILES: CC(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCO
Structure:
CAS RN: 90343-98-9
CAS Name: (Z)-9-octadecenoic acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-[bis(2-chloroethyl)amino-oxomethoxy]pentan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-4-[bis(2-chloroethyl)carbamoyloxy]-1-methyl-butyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate
IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-[bis(2-chloroethyl)carbamoyloxy]pentan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-[bis(2-chloroethyl)carbamoyloxy]pentan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate
MOLECULAR FORMULA: C47H79Cl2NO4
MOLECULAR WEIGHT: 793.04046
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCOC(=O)N(CCCl)CCCl)C)C
Structure:
CAS RN: 67719-38-4
CAS Name: (Z)-7-[(1R,2R,3R,5S)-3-fluoro-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-3-fluoro-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3-fluoro-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-3-fluoranyl-5-oxidanyl-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C20H33FO4
MOLECULAR WEIGHT: 356.472023
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)F)O
Structure:
CAS RN: 67719-33-9
CAS Name: (Z)-7-[(1R,2R,3S,5S)-3-fluoro-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3S,5S)-3-fluoro-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3S,5S)-3-fluoro-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3S,5S)-3-fluoranyl-5-oxidanyl-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C20H33FO4
MOLECULAR WEIGHT: 356.472023
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)F)O
Structure:
CAS RN: 13403-10-6
CAS Name: hexadecanoic acid [(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexyl] ester
OPENEYE Name: [(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexyl] hexadecanoate
IUPAC Name: [(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] hexadecanoate
SYSTEMATIC NAME: [(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexyl] hexadecanoate
MOLECULAR FORMULA: C43H74O2
MOLECULAR WEIGHT: 623.04646
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@@H]1CCC(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C)/C1
Structure:
CAS RN: 13309-77-8
CAS Name: (9E,15E)-octadeca-9,15-dienoic acid
OPENEYE Name: (9E,15E)-octadeca-9,15-dienoic acid
IUPAC Name: (9E,15E)-octadeca-9,15-dienoic acid
SYSTEMATIC NAME: (9E,15E)-octadeca-9,15-dienoic acid
MOLECULAR FORMULA: C18H32O2
MOLECULAR WEIGHT: 280.44548
SMILES: CC/C=C/CCCC/C=C/CCCCCCCC(=O)O
Structure:
CAS RN: 86363-50-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H42O3
MOLECULAR WEIGHT: 426.63128
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC=C3[C@@]24C=C[C@]5([C@@]3(CC[C@@H](C5)O)C)OO4)C
Structure:
CAS RN: 105181-63-3
CAS Name: (E)-3-hydroxy-4-decenethioic acid S-[2-[[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester
OPENEYE Name: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (E)-3-hydroxydec-4-enethioate
IUPAC Name: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-3-hydroxydec-4-enethioate
SYSTEMATIC NAME: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (E)-3-oxidanyldec-4-enethioate
MOLECULAR FORMULA: C31H52N7O18P3S
MOLECULAR WEIGHT: 935.766963
SMILES: CCCCC/C=C/C(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O
Structure:
CAS RN: 86277-62-5
CAS Name: 2-[2-[(E)-2-[8-[bis(carboxymethyl)amino]-6-methoxy-2-quinolinyl]ethenyl]-N-(carboxymethyl)anilino]acetic acid
OPENEYE Name: 2-[2-[(E)-2-[8-[bis(carboxymethyl)amino]-6-methoxy-2-quinolyl]vinyl]-N-(carboxymethyl)anilino]acetic acid
IUPAC Name: 2-[2-[(E)-2-[8-[bis(carboxymethyl)amino]-6-methoxyquinolin-2-yl]ethenyl]-N-(carboxymethyl)anilino]acetic acid
SYSTEMATIC NAME: 2-[[2-[(E)-2-[8-[bis(2-hydroxy-2-oxoethyl)amino]-6-methoxy-quinolin-2-yl]ethenyl]phenyl]-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
MOLECULAR FORMULA: C26H25N3O9
MOLECULAR WEIGHT: 523.4914
SMILES: COC1=CC(=C2C(=C1)C=CC(=N2)/C=C/C3=CC=CC=C3N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
Structure:
CAS RN: 85925-90-2
CAS Name: (2E,4R)-2-[(2E)-2-[(1S,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-hydroxy-1-cyclohexanone
OPENEYE Name: (2E,4R)-2-[(2E)-2-[(1S,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-hydroxy-cyclohexanone
IUPAC Name: (2E,4R)-2-[(2E)-2-[(1S,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-hydroxycyclohexan-1-one
SYSTEMATIC NAME: (2E,4R)-2-[(2E)-2-[(1S,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-oxidanyl-cyclohexan-1-one
MOLECULAR FORMULA: C26H42O3
MOLECULAR WEIGHT: 402.60988
SMILES: C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@@H](CCC3=O)O)C
Structure:
CAS RN: 105088-14-0
CAS Name: (2E)-15-hydroxy-11-methyl-17-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraene-7,13-dione
OPENEYE Name: (2E)-15-hydroxy-11-methyl-17-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraene-7,13-dione
IUPAC Name: (2E)-15-hydroxy-11-methyl-17-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraene-7,13-dione
SYSTEMATIC NAME: (2E)-17-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-11-methyl-15-oxidanyl-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraene-7,13-dione
MOLECULAR FORMULA: C24H32O10
MOLECULAR WEIGHT: 480.50488
SMILES: CC1CCCC(=O)CCC/C=C/C2=CC(=CC(=C2C(=O)O1)O)OC3C(C(C(C(O3)CO)O)O)O
Structure:
CAS RN: 67359-27-7
CAS Name: (E,7R)-1-[(2S,6Z)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-2-oxepanyl]-4,7,8-trimethyl-3-nonen-5-one
OPENEYE Name: (E,7R)-1-[(2S,6Z)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl]-4,7,8-trimethyl-non-3-en-5-one
IUPAC Name: (E,7R)-1-[(2S,6Z)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyloxepan-2-yl]-4,7,8-trimethylnon-3-en-5-one
SYSTEMATIC NAME: (E,7R)-4,7,8-trimethyl-1-[(2S,6Z)-2-methyl-3-oxidanyl-6-(2-oxidanylethylidene)oxepan-2-yl]non-3-en-5-one
MOLECULAR FORMULA: C21H36O4
MOLECULAR WEIGHT: 352.50814
SMILES: C[C@H](CC(=O)/C(=C/CC[C@]1(C(CC/C(=C/CO)/CO1)O)C)/C)C(C)C
Structure:
CAS RN: 67355-95-7
CAS Name: (Z)-7-[(1R,2R,3R)-2-[(E,3S)-3,6-dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R)-2-[(E,3S)-3,6-dihydroxyoct-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R)-2-[(E,3S)-3,6-dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R)-2-[(E,3S)-3,6-bis(oxidanyl)oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C20H32O6
MOLECULAR WEIGHT: 368.46448
SMILES: CCC(CC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O)O
Structure:
CAS RN: 67355-92-4
CAS Name: 7-[(1R,2R,3R)-2-[(E,3S)-3,6-dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
OPENEYE Name: 7-[(1R,2R,3R)-2-[(E,3S)-3,6-dihydroxyoct-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]heptanoic acid
IUPAC Name: 7-[(1R,2R,3R)-2-[(E,3S)-3,6-dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
SYSTEMATIC NAME: 7-[(1R,2R,3R)-2-[(E,3S)-3,6-bis(oxidanyl)oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid
MOLECULAR FORMULA: C20H34O6
MOLECULAR WEIGHT: 370.48036
SMILES: CCC(CC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O)O
Structure:
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