Product OPENEYE NAME: 4,6,6a,7,8,12a-hexahydroxy-3-methyl-2,3,4,5,6,7-hexahydrobenzo[a]anthracene-1,12-dione
CAS Name: 4,6,6a,7,8,12a-hexahydroxy-3-methyl-2,3,4,5,6,7-hexahydrobenzo[a]anthracene-1,12-dione
IUPAC NAME: 4,6,6a,7,8,12a-hexahydroxy-3-methyl-2,3,4,5,6,7-hexahydrobenzo[a]anthracene-1,12-dione
SYSTEMATIC NAME: 3-methyl-4,6,6a,7,8,12a-hexakis(oxidanyl)-2,3,4,5,6,7-hexahydrobenzo[a]anthracene-1,12-dione
MOLECULAR FORMULA: C19H20O8
MOLECULAR WEIGHT: 376.3573
SMILES: CC1CC(=O)C2=C(C1O)CC(C3(C2(C(=O)C4=C(C3O)C(=CC=C4)O)O)O)O
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Product OPENEYE NAME: 4-(9-carboxynonyl)-3-hydroxy-5-oxo-tetrahydrofuran-2,3-dicarboxylic acid
CAS Name: 4-(9-carboxynonyl)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid
IUPAC NAME: 4-(9-carboxynonyl)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid
SYSTEMATIC NAME: 3-oxidanyl-5-oxidanylidene-4-(10-oxidanyl-10-oxidanylidene-decyl)oxolane-2,3-dicarboxylic acid
MOLECULAR FORMULA: C16H24O9
MOLECULAR WEIGHT: 360.35636
SMILES: C(CCCCC1C(=O)OC(C1(C(=O)O)O)C(=O)O)CCCCC(=O)O
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Product OPENEYE NAME: 5-acetoxy-7-[2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3-hydroxy-heptanoic acid
CAS Name: 5-acetyloxy-7-[2,6-dimethyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3-hydroxyheptanoic acid
IUPAC NAME: 5-acetyloxy-7-[2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3-hydroxyheptanoic acid
SYSTEMATIC NAME: 5-acetyloxy-7-[2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3-oxidanyl-heptanoic acid
MOLECULAR FORMULA: C26H40O7
MOLECULAR WEIGHT: 464.5916
SMILES: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)OC(=O)C)C
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Product OPENEYE NAME: 18-chloro-5,17-dihydroxy-15-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),14,16-triene-3,13-dione
CAS Name: 18-chloro-5,17-dihydroxy-15-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),14,16-triene-3,13-dione
IUPAC NAME: 18-chloro-5,17-dihydroxy-15-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),14,16-triene-3,13-dione
SYSTEMATIC NAME: 18-chloranyl-15-methoxy-11-methyl-5,17-bis(oxidanyl)-12-oxabicyclo[12.4.0]octadeca-1(18),14,16-triene-3,13-dione
MOLECULAR FORMULA: C19H25ClO6
MOLECULAR WEIGHT: 384.8512
SMILES: CC1CCCCCC(CC(=O)CC2=C(C(=CC(=C2Cl)O)OC)C(=O)O1)O
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Product OPENEYE NAME: (9Z,12Z)-6,8,18-trihydroxyoctadeca-9,12-dienoic acid
CAS Name: (9Z,12Z)-6,8,18-trihydroxyoctadeca-9,12-dienoic acid
IUPAC NAME: (9Z,12Z)-6,8,18-trihydroxyoctadeca-9,12-dienoic acid
SYSTEMATIC NAME: (9Z,12Z)-6,8,18-tris(oxidanyl)octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C18H32O5
MOLECULAR WEIGHT: 328.44368
SMILES: C(CC/C=C\C/C=C\C(CC(CCCCC(=O)O)O)O)CCO
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Product OPENEYE NAME: 6,12-dibenzyl-3,9-diisopropyl-4,10-dimethyl-1,7-dioxa-4,10-diazacyclododecane-2,5,8,11-tetrone
CAS Name: 4,10-dimethyl-6,12-bis(phenylmethyl)-3,9-di(propan-2-yl)-1,7-dioxa-4,10-diazacyclododecane-2,5,8,11-tetrone
IUPAC NAME: 6,12-dibenzyl-4,10-dimethyl-3,9-di(propan-2-yl)-1,7-dioxa-4,10-diazacyclododecane-2,5,8,11-tetrone
SYSTEMATIC NAME: 4,10-dimethyl-6,12-bis(phenylmethyl)-3,9-di(propan-2-yl)-1,7-dioxa-4,10-diazacyclododecane-2,5,8,11-tetrone
MOLECULAR FORMULA: C30H38N2O6
MOLECULAR WEIGHT: 522.63252
SMILES: CC(C)C1C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)C)CC3=CC=CC=C3
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Product OPENEYE NAME: 1,4-diphenylcyclohexane-1,2,3-triol
CAS Name: 1,4-diphenylcyclohexane-1,2,3-triol
IUPAC NAME: 1,4-diphenylcyclohexane-1,2,3-triol
SYSTEMATIC NAME: 1,4-diphenylcyclohexane-1,2,3-triol
MOLECULAR FORMULA: C18H20O3
MOLECULAR WEIGHT: 284.3496
SMILES: C1CC(C(C(C1C2=CC=CC=C2)O)O)(C3=CC=CC=C3)O
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Product OPENEYE NAME: 6-[(1E,3E)-hepta-1,3-dienyl]-3a,4-dihydroxy-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
CAS Name: 6-[(1E,3E)-hepta-1,3-dienyl]-3a,4-dihydroxy-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
IUPAC NAME: 6-[(1E,3E)-hepta-1,3-dienyl]-3a,4-dihydroxy-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SYSTEMATIC NAME: 6-[(1E,3E)-hepta-1,3-dienyl]-3a,4-bis(oxidanyl)-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
MOLECULAR FORMULA: C14H20O4
MOLECULAR WEIGHT: 252.3062
SMILES: CCC/C=C/C=C/C1CC(C2(C1COC2=O)O)O
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Product OPENEYE NAME: methyl 2-(3,5-dihydroxy-2-oxo-indolin-3-yl)acetate
CAS Name: 2-(3,5-dihydroxy-2-oxo-1H-indol-3-yl)acetic acid methyl ester
IUPAC NAME: methyl 2-(3,5-dihydroxy-2-oxo-1H-indol-3-yl)acetate
SYSTEMATIC NAME: methyl 2-[3,5-bis(oxidanyl)-2-oxidanylidene-1H-indol-3-yl]ethanoate
MOLECULAR FORMULA: C11H11NO5
MOLECULAR WEIGHT: 237.20874
SMILES: COC(=O)CC1(C2=C(C=CC(=C2)O)NC1=O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H28O6
MOLECULAR WEIGHT: 376.44342
SMILES: CC1(C2CCC3(C(C2(CCC1O)C)CC4=C(O3)OC(=CC4=O)C(=O)O)C)C
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Product OPENEYE NAME: [7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 2-hydroxy-4-methoxy-6-methyl-benzoate
CAS Name: 2-hydroxy-4-methoxy-6-methylbenzoic acid [7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-2-benzopyran-6-yl] ester
IUPAC NAME: [7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 2-hydroxy-4-methoxy-6-methylbenzoate
SYSTEMATIC NAME: [7-methyl-7-oxidanyl-8-oxidanylidene-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 4-methoxy-2-methyl-6-oxidanyl-benzoate
MOLECULAR FORMULA: C22H24O7
MOLECULAR WEIGHT: 400.42176
SMILES: C/C=C/C1=CC2=C(CO1)C(=O)C(C(C2)OC(=O)C3=C(C=C(C=C3C)OC)O)(C)O
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Product OPENEYE NAME: 6-hydroxy-1,7,7-trimethyl-2,3,3a,5a,6,8-hexahydro-1H-cyclopenta[h]pentalene-4-carboxylic acid
CAS Name: 6-hydroxy-1,7,7-trimethyl-2,3,3a,5a,6,8-hexahydro-1H-cyclopenta[h]pentalene-4-carboxylic acid
IUPAC NAME: 6-hydroxy-1,7,7-trimethyl-2,3,3a,5a,6,8-hexahydro-1H-cyclopenta[h]pentalene-4-carboxylic acid
SYSTEMATIC NAME: 1,7,7-trimethyl-6-oxidanyl-2,3,3a,5a,6,8-hexahydro-1H-cyclopenta[h]pentalene-4-carboxylic acid
MOLECULAR FORMULA: C15H22O3
MOLECULAR WEIGHT: 250.33338
SMILES: CC1CCC2C13CC(C(C3C=C2C(=O)O)O)(C)C
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Product OPENEYE NAME: 1-[4-acetyl-3-benzyl-6-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,3-dihydropyrazin-1-yl]ethanone
CAS Name: 1-[4-acetyl-6-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-(phenylmethyl)-2,3-dihydropyrazin-1-yl]ethanone
IUPAC NAME: 1-[4-acetyl-3-benzyl-6-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,3-dihydropyrazin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-ethanoyl-6-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-(phenylmethyl)-2,3-dihydropyrazin-1-yl]ethanone
MOLECULAR FORMULA: C24H26N2O5
MOLECULAR WEIGHT: 422.47364
SMILES: CC(=O)N1CC(N(C=C1CC2=CC3=C(C(=C2)OC)OCO3)C(=O)C)CC4=CC=CC=C4
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Product OPENEYE NAME: 3-[15,21-bis(2-amino-2-oxo-ethyl)-3-(1-hydroxyethyl)-6,12-bis(hydroxymethyl)-18-[(4-hydroxyphenyl)methyl]-25-(11-methyldodecyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclopentacos-9-yl]propanoic acid
CAS Name: 3-[15,21-bis(2-amino-2-oxoethyl)-3-(1-hydroxyethyl)-6,12-bis(hydroxymethyl)-18-[(4-hydroxyphenyl)methyl]-25-(11-methyldodecyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclopentacos-9-yl]propanoic acid
IUPAC NAME: 3-[15,21-bis(2-amino-2-oxoethyl)-3-(1-hydroxyethyl)-6,12-bis(hydroxymethyl)-18-[(4-hydroxyphenyl)methyl]-25-(11-methyldodecyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclopentacos-9-yl]propanoic acid
SYSTEMATIC NAME: 3-[15,21-bis(2-azanyl-2-oxidanylidene-ethyl)-3-(1-hydroxyethyl)-6,12-bis(hydroxymethyl)-18-[(4-hydroxyphenyl)methyl]-25-(11-methyldodecyl)-2,5,8,11,14,17,20,23-octakis(oxidanylidene)-1,4,7,10,13,16,19,22-octazacyclopentacos-9-yl]propanoic acid
MOLECULAR FORMULA: C48H76N10O16
MOLECULAR WEIGHT: 1049.17444
SMILES: CC(C)CCCCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CO)CCC(=O)O)CO)CC(=O)N)CC2=CC=C(C=C2)O)CC(=O)N
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Product OPENEYE NAME: 3-[15,21-bis(2-amino-2-oxo-ethyl)-3-(1-hydroxyethyl)-6,12-bis(hydroxymethyl)-18-[(4-hydroxyphenyl)methyl]-25-(9-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclopentacos-9-yl]propanoic acid
CAS Name: 3-[15,21-bis(2-amino-2-oxoethyl)-3-(1-hydroxyethyl)-6,12-bis(hydroxymethyl)-18-[(4-hydroxyphenyl)methyl]-25-(9-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclopentacos-9-yl]propanoic acid
IUPAC NAME: 3-[15,21-bis(2-amino-2-oxoethyl)-3-(1-hydroxyethyl)-6,12-bis(hydroxymethyl)-18-[(4-hydroxyphenyl)methyl]-25-(9-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclopentacos-9-yl]propanoic acid
SYSTEMATIC NAME: 3-[15,21-bis(2-azanyl-2-oxidanylidene-ethyl)-3-(1-hydroxyethyl)-6,12-bis(hydroxymethyl)-18-[(4-hydroxyphenyl)methyl]-25-(9-methylundecyl)-2,5,8,11,14,17,20,23-octakis(oxidanylidene)-1,4,7,10,13,16,19,22-octazacyclopentacos-9-yl]propanoic acid
MOLECULAR FORMULA: C47H74N10O16
MOLECULAR WEIGHT: 1035.14786
SMILES: CCC(C)CCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CO)CCC(=O)O)CO)CC(=O)N)CC2=CC=C(C=C2)O)CC(=O)N
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