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MOLECULAR FORMULA: C23H32O6
MOLECULAR WEIGHT: 404.49658
SMILES: CC1CC(=O)C2=C(O1)OC3(CCC4C(C(CC(=O)C4(C3C2)C)OC(=O)C)(C)C)C
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Product OPENEYE NAME: 5-[(E)-4-carboxy-3-methyl-but-3-enyl]-3-hydroxy-1,4a-dimethyl-6-methylene-decalin-1-carboxylic acid
CAS Name: 5-[(E)-4-carboxy-3-methylbut-3-enyl]-3-hydroxy-1,4a-dimethyl-6-methylene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
IUPAC NAME: 5-[(E)-4-carboxy-3-methylbut-3-enyl]-3-hydroxy-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
SYSTEMATIC NAME: 1,4a-dimethyl-6-methylidene-5-[(E)-3-methyl-5-oxidanyl-5-oxidanylidene-pent-3-enyl]-3-oxidanyl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
MOLECULAR FORMULA: C20H30O5
MOLECULAR WEIGHT: 350.4492
SMILES: C/C(=C\C(=O)O)/CCC1C(=C)CCC2C1(CC(CC2(C)C(=O)O)O)C
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Product OPENEYE NAME: methyl 4-(4,6-dihydroxy-5-methoxy-2,5-dimethyl-3-oxo-cyclohexen-1-yl)oxy-2-hydroxy-3,6-dimethyl-benzoate
CAS Name: 4-[(4,6-dihydroxy-5-methoxy-2,5-dimethyl-3-oxo-1-cyclohexenyl)oxy]-2-hydroxy-3,6-dimethylbenzoic acid methyl ester
IUPAC NAME: methyl 4-(4,6-dihydroxy-5-methoxy-2,5-dimethyl-3-oxocyclohexen-1-yl)oxy-2-hydroxy-3,6-dimethylbenzoate
SYSTEMATIC NAME: methyl 4-[5-methoxy-2,5-dimethyl-4,6-bis(oxidanyl)-3-oxidanylidene-cyclohexen-1-yl]oxy-3,6-dimethyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C19H24O8
MOLECULAR WEIGHT: 380.38906
SMILES: CC1=CC(=C(C(=C1C(=O)OC)O)C)OC2=C(C(=O)C(C(C2O)(C)OC)O)C
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Product OPENEYE NAME: 2-[3-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxy-phenyl]-5-oxo-2H-furan-2-yl]acetic acid
CAS Name: 2-[3-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-5-oxo-2H-furan-2-yl]acetic acid
IUPAC NAME: 2-[3-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-5-oxo-2H-furan-2-yl]acetic acid
SYSTEMATIC NAME: 2-[3-[4-(4-hydroxyphenyl)-3,6-dimethoxy-2-oxidanyl-phenyl]-5-oxidanylidene-2H-furan-2-yl]ethanoic acid
MOLECULAR FORMULA: C20H18O8
MOLECULAR WEIGHT: 386.35212
SMILES: COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)O)C3=CC(=O)OC3CC(=O)O
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Product OPENEYE NAME: 3-[[7-(1,1-dimethylallyl)-2,2-dimethyl-8H-pyrano[3,2-f]indol-6-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CAS Name: 3-[[2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-8H-pyrano[3,2-f]indol-6-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
IUPAC NAME: 3-[[2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-8H-pyrano[3,2-f]indol-6-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
SYSTEMATIC NAME: 3-[[2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-8H-pyrano[3,2-f]indol-6-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
MOLECULAR FORMULA: C26H31N3O3
MOLECULAR WEIGHT: 433.54264
SMILES: CC1(C=CC2=C(O1)C=C3C(=C2)C(=C(N3)C(C)(C)C=C)CC4C(=O)N5CCCC5C(=O)N4)C
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Product OPENEYE NAME: 2-(1-hydroxy-3-methyl-butyl)-6-methyl-5H-[1,3]dioxolo[4,5-c]pyridin-4-one
CAS Name: 2-(1-hydroxy-3-methylbutyl)-6-methyl-5H-[1,3]dioxolo[4,5-c]pyridin-4-one
IUPAC NAME: 2-(1-hydroxy-3-methylbutyl)-6-methyl-5H-[1,3]dioxolo[4,5-c]pyridin-4-one
SYSTEMATIC NAME: 6-methyl-2-(3-methyl-1-oxidanyl-butyl)-5H-[1,3]dioxolo[4,5-c]pyridin-4-one
MOLECULAR FORMULA: C12H17NO4
MOLECULAR WEIGHT: 239.26768
SMILES: CC1=CC2=C(C(=O)N1)OC(O2)C(CC(C)C)O
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Product OPENEYE NAME: [3-hydroxy-1-[2-[1-[2-hydroxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexoxy)butyl]hexoxy]-2-oxo-ethyl]octyl] 3,5-dihydroxydecanoate
CAS Name: 3,5-dihydroxydecanoic acid [5-hydroxy-1-[3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl]oxy-1-oxodecan-3-yl] ester
IUPAC NAME: [5-hydroxy-1-[3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl]oxy-1-oxodecan-3-yl] 3,5-dihydroxydecanoate
SYSTEMATIC NAME: [5-oxidanyl-1-oxidanylidene-1-[3-oxidanyl-1-oxidanylidene-1-[2,3,4,5,6-pentakis(oxidanyl)hexoxy]decan-5-yl]oxy-decan-3-yl] 3,5-bis(oxidanyl)decanoate
MOLECULAR FORMULA: C36H68O15
MOLECULAR WEIGHT: 740.91612
SMILES: CCCCCC(CC(CC(=O)OC(CC(CCCCC)O)CC(=O)OC(CCCCC)CC(CC(=O)OCC(C(C(C(CO)O)O)O)O)O)O)O
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Product OPENEYE NAME: (E)-2-(hydroxymethyl)-3-(5-isopropyl-3-oxo-4,5,6,7-tetrahydro-1H-isobenzofuran-4-yl)prop-2-enoic acid
CAS Name: (E)-2-(hydroxymethyl)-3-(3-oxo-5-propan-2-yl-4,5,6,7-tetrahydro-1H-isobenzofuran-4-yl)-2-propenoic acid
IUPAC NAME: (E)-2-(hydroxymethyl)-3-(3-oxo-5-propan-2-yl-4,5,6,7-tetrahydro-1H-2-benzofuran-4-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-2-(hydroxymethyl)-3-(3-oxidanylidene-5-propan-2-yl-4,5,6,7-tetrahydro-1H-2-benzofuran-4-yl)prop-2-enoic acid
MOLECULAR FORMULA: C15H20O5
MOLECULAR WEIGHT: 280.3163
SMILES: CC(C)C1CCC2=C(C1/C=C(\CO)/C(=O)O)C(=O)OC2
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MOLECULAR FORMULA: C26H36O8
MOLECULAR WEIGHT: 476.55924
SMILES: CC1C(=O)C2(C(C(=O)O1)C3(C(CC4C(OC(=O)CC(C4(C3CC2=C)C)O)(C)C)OC(=O)C)C)C
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MOLECULAR FORMULA: C28H38O10
MOLECULAR WEIGHT: 534.59532
SMILES: CC1C(=O)C2(C(C(=O)O1)C3(C(CC2=C)C4(C(CC(=O)OC(C4C(C3OC(=O)C)O)(C)C)OC(=O)C)C)C)C
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Product OPENEYE NAME: 1-hydroxy-1,8,8-trimethyl-2-oxo-4a,6a,7,9-tetrahydro-4H-pentaleno[1,6a-c]pyran-5-carboxylic acid
CAS Name: 1-hydroxy-1,8,8-trimethyl-2-oxo-4a,6a,7,9-tetrahydro-4H-pentaleno[1,6a-c]pyran-5-carboxylic acid
IUPAC NAME: 1-hydroxy-1,8,8-trimethyl-2-oxo-4a,6a,7,9-tetrahydro-4H-pentaleno[1,6a-c]pyran-5-carboxylic acid
SYSTEMATIC NAME: 1,8,8-trimethyl-1-oxidanyl-2-oxidanylidene-4a,6a,7,9-tetrahydro-4H-pentaleno[1,6a-c]pyran-5-carboxylic acid
MOLECULAR FORMULA: C15H20O5
MOLECULAR WEIGHT: 280.3163
SMILES: CC1(CC2C=C(C3C2(C1)C(C(=O)OC3)(C)O)C(=O)O)C
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MOLECULAR FORMULA: C20H18O6
MOLECULAR WEIGHT: 354.35332
SMILES: C1CC(C23C4(C=CC(C2(C1O)O3)O)OC5=CC=CC6=C5C(=CC=C6)O4)O
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Product OPENEYE NAME: 2-[2,20-dihydroxy-1-methyl-19-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-henicosoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: 2-[3,21-dihydroxy-20-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]docosan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: 2-[3,21-dihydroxy-20-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[20-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,21-bis(oxidanyl)docosan-2-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C34H66O14
MOLECULAR WEIGHT: 698.87944
SMILES: CC(C(CCCCCCCCCCCCCCCCC(C(C)OC1C(C(C(C(O1)CO)O)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O
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MOLECULAR FORMULA: C29H36N2O5
MOLECULAR WEIGHT: 492.60654
SMILES: CC1C/C=C/C2C(C(=C(C3C2(C(=O)CC(C(C1)O)O)C(=O)NC3CC4=CNC5=CC=CC=C54)C)C)O
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MOLECULAR FORMULA: C39H53N7O9
MOLECULAR WEIGHT: 763.87962
SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC2=CC=CC=C2C(=O)NC(C(=O)N3CCCC3C(=O)N1)C(C)C)CC4=CC=C(C=C4)O)C)C(C)O
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