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MOLECULAR FORMULA: C20H18O5
MOLECULAR WEIGHT: 338.35392
SMILES: C[C@@]1([C@H]2CCC3([C@H]2C=C4[C@]1(O3)C(=O)C5=C(C4=O)C=CC(=C5)O)C)C=O
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Product OPENEYE NAME: [6-[2-[2,6-dihydroxy-4-[4-hydroxy-5-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydrofuran-2-yl]oxy-3-[3-(4-hydroxyphenyl)propanoyl]phenyl]-5-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]oxy-tetrahydropyran-4-yl]oxy-4,5-dihy
CAS Name: (Z)-3-phenyl-2-propenoic acid [6-[[2-[2,6-dihydroxy-4-[[4-hydroxy-5-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2-oxolanyl]oxy]-3-[3-(4-hydroxyphenyl)-1-oxopropyl]phenyl]-5-hydroxy-6-methyl-3-[(E)-1-oxo-3-phenylprop-2-enoxy]-4-oxanyl]oxy]-
IUPAC NAME: [6-[2-[2,6-dihydroxy-4-[4-hydroxy-5-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxolan-2-yl]oxy-3-[3-(4-hydroxyphenyl)propanoyl]phenyl]-5-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] (Z)-3-phe
SYSTEMATIC NAME: [6-[2-[4-[5-(hydroxymethyl)-3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxolan-2-yl]oxy-3-[3-(4-hydroxyphenyl)propanoyl]-2,6-bis(oxidanyl)phenyl]-6-methyl-5-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]oxy-oxan-4-yl]oxy-2-methyl-4,5-bis(oxidanyl)oxan
MOLECULAR FORMULA: C56H64O23
MOLECULAR WEIGHT: 1105.09356
SMILES: CC1C(C(C(C(O1)C2=C(C=C(C(=C2O)C(=O)CCC3=CC=C(C=C3)O)OC4C(C(C(O4)CO)O)OC5C(C(C(C(O5)C)O)O)O)O)OC(=O)/C=C/C6=CC=CC=C6)OC7C(C(C(C(O7)C)OC(=O)/C=C\C8=CC=CC=C8)O)O)O
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Product OPENEYE NAME: 2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-(4-hydroxyphenyl)propanoic acid
CAS Name: 2-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-3-(4-hydroxyphenyl)propanoic acid
IUPAC NAME: 2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-(4-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: 2-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-3-(4-hydroxyphenyl)propanoic acid
MOLECULAR FORMULA: C18H16O7
MOLECULAR WEIGHT: 344.31544
SMILES: C1=CC(=CC=C1CC(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O
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Product OPENEYE NAME: 3,4-dihydroxy-6-[[11-methoxycarbonyl-4,4,6a,6b,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-
CAS Name: 3,4-dihydroxy-6-[[11-methoxycarbonyl-4,4,6a,6b,11,14b-hexamethyl-8a-[oxo-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]methyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxa
IUPAC NAME: 3,4-dihydroxy-6-[[11-methoxycarbonyl-4,4,6a,6b,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carbox
SYSTEMATIC NAME: 6-[[8a-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycarbonyl-11-methoxycarbonyl-4,4,6a,6b,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)ox
MOLECULAR FORMULA: C49H76O21
MOLECULAR WEIGHT: 1001.11514
SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)CC=C6C3(CCC7(C6CC(CC7)(C)C(=O)OC)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C
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Product OPENEYE NAME: 3,12-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
CAS Name: 3,12-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[oxo-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]methyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
IUPAC NAME: 3,12-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
SYSTEMATIC NAME: 8a-[6-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-3,12-bis(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
MOLECULAR FORMULA: C42H66O16
MOLECULAR WEIGHT: 826.96384
SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C2C1O)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)C
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Product OPENEYE NAME: 3,12-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
CAS Name: 3,12-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[oxo-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]methyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
IUPAC NAME: 3,12-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
SYSTEMATIC NAME: 8a-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-3,12-bis(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
MOLECULAR FORMULA: C36H56O11
MOLECULAR WEIGHT: 664.82324
SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C2C1O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C
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Product OPENEYE NAME: (1R,3aR,5R,5aR,8aR,9aR)-1,5,8a-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione
CAS Name: (1R,3aR,5R,5aR,8aR,9aR)-1,5,8a-trimethyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione
IUPAC NAME: (1R,3aR,5R,5aR,8aR,9aR)-1,5,8a-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione
SYSTEMATIC NAME: (1R,3aR,5R,5aR,8aR,9aR)-9-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione
MOLECULAR FORMULA: C21H30O9
MOLECULAR WEIGHT: 426.4575
SMILES: C[C@@H]1C[C@@H]2[C@@H]([C@H](C(=O)O2)C)C([C@]3([C@H]1C=CC3=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
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Product OPENEYE NAME: [(1R,3aR,5R,5aR,8aR,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate
CAS Name: acetic acid [(1R,3aR,5R,5aR,8aR,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] ester
IUPAC NAME: [(1R,3aR,5R,5aR,8aR,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate
SYSTEMATIC NAME: [(1R,3aR,5R,5aR,8aR,9aR)-1,5,8a-trimethyl-2,8-bis(oxidanylidene)-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] ethanoate
MOLECULAR FORMULA: C17H22O5
MOLECULAR WEIGHT: 306.35358
SMILES: C[C@@H]1C[C@@H]2[C@@H]([C@H](C(=O)O2)C)C([C@]3([C@H]1C=CC3=O)C)OC(=O)C
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Product OPENEYE NAME: methyl (2S,3R,4S)-4-[(E)-3-[(2S,3R,4R)-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-vinyl-3,4-dihydro-2H-pyran-4-yl]-4-oxo-but-2-enyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropy
CAS Name: (2S,3R,4S)-3-ethenyl-4-[(E)-3-[(2S,3R,4R)-3-ethenyl-5-methoxycarbonyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydro-2H-pyran-4-yl]-4-oxobut-2-enyl]-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3
IUPAC NAME: methyl (2S,3R,4S)-3-ethenyl-4-[(E)-3-[(2S,3R,4R)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]-4-oxobut-2-enyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ox
SYSTEMATIC NAME: methyl (2S,3R,4S)-3-ethenyl-4-[(E)-3-[(2S,3R,4R)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-methoxycarbonyl-3,4-dihydro-2H-pyran-4-yl]-4-oxidanylidene-but-2-enyl]-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(ox
MOLECULAR FORMULA: C34H46O19
MOLECULAR WEIGHT: 758.71764
SMILES: COC(=O)C1=CO[C@H]([C@@H]([C@@H]1C/C=C(/C=O)\[C@H]2[C@H]([C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C=C)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
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Product OPENEYE NAME: [(3aR,5R,5aR,8aR,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate
CAS Name: acetic acid [(3aR,5R,5aR,8aR,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] ester
IUPAC NAME: [(3aR,5R,5aR,8aR,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate
SYSTEMATIC NAME: [(3aR,5R,5aR,8aR,9aR)-5,8a-dimethyl-1-methylidene-2,8-bis(oxidanylidene)-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] ethanoate
MOLECULAR FORMULA: C17H20O5
MOLECULAR WEIGHT: 304.3377
SMILES: C[C@@H]1C[C@@H]2[C@H](C([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2
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Product OPENEYE NAME: [3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3-acetoxy-14-(acetoxymethyl)-12,16-dihydroxy-17-(1-methoxycarbonyl-5-methyl-3-oxo-hex-4-enyl)-4,10,13-trimethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carboxylate
CAS Name: 3-acetyloxy-14-(acetyloxymethyl)-12,16-dihydroxy-17-(1-methoxy-6-methyl-1,4-dioxohept-5-en-2-yl)-4,10,13-trimethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid [3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester
IUPAC NAME: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-acetyloxy-14-(acetyloxymethyl)-12,16-dihydroxy-17-(1-methoxy-6-methyl-1,4-dioxohept-5-en-2-yl)-4,10,13-trimethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carboxylate
SYSTEMATIC NAME: [6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] 3-acetyloxy-14-(acetyloxymethyl)-17-[1-methoxy-6-methyl-1,4-bis(oxidanylidene)hept-5-en-2-yl]-4,10,13-trimethyl-12,16-bis(oxidanyl)-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carboxy
MOLECULAR FORMULA: C41H60O16
MOLECULAR WEIGHT: 808.9055
SMILES: CC(=CC(=O)CC(C1C(CC2(C1(C(CC3C2=CCC4C3(CCC(C4(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C)C)O)C)COC(=O)C)O)C(=O)OC)C
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