Product OPENEYE NAME: [4,5-dihydroxy-2-[(4-hydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,5,8,8a-hexahydronaphthalen-1-yl)oxy]-6-methyl-tetrahydropyran-3-yl] (Z)-2-methylbut-2-enoate
CAS Name: (Z)-2-methyl-2-butenoic acid [4,5-dihydroxy-2-[(4-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,8,8a-hexahydronaphthalen-1-yl)oxy]-6-methyl-3-oxanyl] ester
IUPAC NAME: [4,5-dihydroxy-2-[(4-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,8,8a-hexahydronaphthalen-1-yl)oxy]-6-methyloxan-3-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [2-[(1,4a-dimethyl-4-oxidanyl-7-propan-2-yl-2,3,4,5,8,8a-hexahydronaphthalen-1-yl)oxy]-6-methyl-4,5-bis(oxidanyl)oxan-3-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C26H42O7
MOLECULAR WEIGHT: 466.60748
SMILES: C/C=C(/C)\C(=O)OC1C(C(C(OC1OC2(CCC(C3(C2CC(=CC3)C(C)C)C)O)C)C)O)O
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Product OPENEYE NAME: 4-[2-[1-hydroxy-2,5,5,8a-tetramethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-decalin-1-yl]ethyl]-2H-furan-5-one
CAS Name: 4-[2-[1-hydroxy-2,5,5,8a-tetramethyl-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-2H-furan-5-one
IUPAC NAME: 4-[2-[1-hydroxy-2,5,5,8a-tetramethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-2H-furan-5-one
SYSTEMATIC NAME: 4-[2-[6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,5,5,8a-tetramethyl-1-oxidanyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-2H-furan-5-one
MOLECULAR FORMULA: C26H42O9
MOLECULAR WEIGHT: 498.60628
SMILES: CC1CCC2C(C(CCC2(C1(CCC3=CCOC3=O)O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)(C)C
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Product OPENEYE NAME: (1R,2R,4aS,6aS,6bR,10S,11S,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
CAS Name: (1R,2R,4aS,6aS,6bR,10S,11S,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
IUPAC NAME: (1R,2R,4aS,6aS,6bR,10S,11S,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
SYSTEMATIC NAME: (1R,2R,4aS,6aS,6bR,10S,11S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-1,10,11-tris(oxidanyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
MOLECULAR FORMULA: C30H48O5
MOLECULAR WEIGHT: 488.69912
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(C[C@@H]([C@H](C5(C)C)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O
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Product OPENEYE NAME: 5-[(2R,3R,4S,5R,6R)-2-[[5-acetyl-4-hydroxy-2-[1-(hydroxymethyl)vinyl]-2,3-dihydrobenzofuran-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3-hydroxy-3-methyl-5-oxo-pentanoic acid
CAS Name: 5-[[(2R,3R,4S,5R,6R)-2-[[5-acetyl-4-hydroxy-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydrobenzofuran-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
IUPAC NAME: 5-[(2R,3R,4S,5R,6R)-2-[[5-acetyl-4-hydroxy-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[(2R,3R,4S,5R,6R)-2-[[5-ethanoyl-4-oxidanyl-2-(3-oxidanylprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-3-yl]oxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C25H32O14
MOLECULAR WEIGHT: 556.51318
SMILES: CC(=O)C1=C(C2=C(C=C1)OC(C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)OC(=O)CC(C)(CC(=O)O)O)O)C(=C)CO)O
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Product OPENEYE NAME: methyl 2-ethyl-2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butanoate
CAS Name: 2-ethyl-2-hydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]butanoic acid methyl ester
IUPAC NAME: methyl 2-ethyl-2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate
SYSTEMATIC NAME: methyl 2-ethyl-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-butanoate
MOLECULAR FORMULA: C13H24O9
MOLECULAR WEIGHT: 324.32426
SMILES: CCC(C(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(C(=O)OC)O
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Product OPENEYE NAME: 6-[[4,4,6a,6b,11,11,14b-heptamethyl-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-hydroxy-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]tetr
CAS Name: 6-[[4,4,6a,6b,11,11,14b-heptamethyl-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-hydroxy-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanecarboxylic a
IUPAC NAME: 6-[[4,4,6a,6b,11,11,14b-heptamethyl-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-hydroxy-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
SYSTEMATIC NAME: 6-[[8a-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-bis[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]-5-oxidanyl-oxane-2-carboxyl
MOLECULAR FORMULA: C54H86O24
MOLECULAR WEIGHT: 1119.24624
SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O)C
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Product OPENEYE NAME: (2S,3S,4S,5R)-6-[[(3S,6aR,6bS,8aS,12aS,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahyd
CAS Name: (2S,3S,4S,5R)-6-[[(3S,6aR,6bS,8aS,12aS,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanecarboxylic
IUPAC NAME: (2S,3S,4S,5R)-6-[[(3S,6aR,6bS,8aS,12aS,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic a
SYSTEMATIC NAME: (2S,3S,4S,5R)-6-[[(3S,6aR,6bS,8aS,12aS,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxane-2-carb
MOLECULAR FORMULA: C42H66O14
MOLECULAR WEIGHT: 794.96504
SMILES: C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)OC6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O
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Product OPENEYE NAME: [4,5-dihydroxy-6-methyl-2-[(1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl)oxy]tetrahydropyran-3-yl] (Z)-2-methylbut-2-enoate
CAS Name: (Z)-2-methyl-2-butenoic acid [4,5-dihydroxy-6-methyl-2-[(1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl)oxy]-3-oxanyl] ester
IUPAC NAME: [4,5-dihydroxy-6-methyl-2-[(1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl)oxy]oxan-3-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [6-methyl-4,5-bis(oxidanyl)-2-[(1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl)oxy]oxan-3-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C26H42O6
MOLECULAR WEIGHT: 450.60808
SMILES: C/C=C(/C)\C(=O)OC1C(C(C(OC1OC2(CCC3C(C3(C)C)C4C2CCC4C)C)C)O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H56O15
MOLECULAR WEIGHT: 776.86364
SMILES: CC(=CC(=O)CC1C2C(CC3(C2(C(CC4C3=CCC5C4(CCC(C5(C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)OC(=O)C)C)O)C)COC(=O)C)OC1=O)C
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Product OPENEYE NAME: (2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aS,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-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]-3,5-dihydroxy-4-[(2S,3R,4S
CAS Name: (2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aS,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[oxo-[[(2S,3R,4S,5S,6R)-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]-3,5-dihydroxy-4-[[(2S,3R,4S,5R,
IUPAC NAME: (2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aS,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-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]-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aS,14bR)-8a-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5R,6R)-6-(hydroxymet
MOLECULAR FORMULA: C48H76O19
MOLECULAR WEIGHT: 957.10564
SMILES: C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O
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Product OPENEYE NAME: 2-(hydroxymethyl)-1-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-anthracene-9,10-dione
CAS Name: 2-(hydroxymethyl)-1-methoxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxymethyl]-2-oxanyl]oxy]anthracene-9,10-dione
IUPAC NAME: 2-(hydroxymethyl)-1-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
SYSTEMATIC NAME: 2-(hydroxymethyl)-1-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-anthracene-9,10-dione
MOLECULAR FORMULA: C27H30O14
MOLECULAR WEIGHT: 578.5187
SMILES: COC1=C2C(=CC(=C1CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)O)C(=O)C5=CC=CC=C5C2=O
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Product OPENEYE NAME: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,6aR,6bS,8aS,12aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydr
CAS Name: (2S,3S,4S,5R,6R)-6-[[(2R,3R,4S,5S,6S)-2-[[(3S,6aR,6bS,8aS,12aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic a
IUPAC NAME: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,6aR,6bS,8aS,12aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic aci
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,6aR,6bS,8aS,12aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan
MOLECULAR FORMULA: C42H62O16
MOLECULAR WEIGHT: 822.93208
SMILES: C[C@@]12CC[C@@]3(C(=CC(=O)C4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)C)[C@@H]1CC(CC2)(C)C(=O)O)C
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[3-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)propoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2R,3R,4S,5S,6R)-2-[3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5S,6R)-2-[3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanyl-propoxy]oxane-3,4,5-triol
MOLECULAR FORMULA: C16H24O9
MOLECULAR WEIGHT: 360.35636
SMILES: COC1=C(C=CC(=C1)C(CO)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
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MOLECULAR FORMULA: C41H66O13
MOLECULAR WEIGHT: 766.95494
SMILES: CC(CCC(C(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)C3CC[C@@]4([C@@]3(CC[C@]56C4[C@H](CC7[C@]5(C6)C(=O)C=CC7(C)C)O)C)C
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Product OPENEYE NAME: 5-[[(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxo-pentanoic acid
CAS Name: 5-[[(2R,3S,4S,5R,6S)-5-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxy]-6-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]-3,4-dihydroxy-2-oxanyl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
IUPAC NAME: 5-[[(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[[(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methoxy]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C32H36O19
MOLECULAR WEIGHT: 724.61684
SMILES: CC(CC(=O)O)(CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O)O)O)O
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Product OPENEYE NAME: 2-[[5-[[17-[4,5-dihydroxy-1-(hydroxymethyl)-5-methyl-hexyl]-2,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxo-pentanoyl]amino]acetic acid
CAS Name: 2-[[5-[[2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-1,5-dioxopentyl]amino]acetic acid
IUPAC NAME: 2-[[5-[[2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[3-methyl-3-oxidanyl-5-oxidanylidene-5-[[4,4,10,13,14-pentamethyl-17-[6-methyl-1,5,6-tris(oxidanyl)heptan-2-yl]-2,12-bis(oxidanyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]pentanoyl]amino]ethanoic acid
MOLECULAR FORMULA: C38H63NO11
MOLECULAR WEIGHT: 709.90692
SMILES: CC1(C2CCC3=C(C2(CC(C1OC(=O)CC(C)(CC(=O)NCC(=O)O)O)O)C)CC(C4(C3(CCC4C(CCC(C(C)(C)O)O)CO)C)C)O)C
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Product OPENEYE NAME: [17-(4,5-dihydroxy-1,5-dimethyl-hexyl)-2,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-hydroxy-5-[(2-methoxy-2-oxo-ethyl)amino]-3-methyl-5-oxo-pentanoate
CAS Name: 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid [17-(5,6-dihydroxy-6-methylheptan-2-yl)-2,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [17-(5,6-dihydroxy-6-methylheptan-2-yl)-2,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoate
SYSTEMATIC NAME: [4,4,10,13,14-pentamethyl-17-[6-methyl-5,6-bis(oxidanyl)heptan-2-yl]-2,12-bis(oxidanyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 5-[(2-methoxy-2-oxidanylidene-ethyl)amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C39H65NO10
MOLECULAR WEIGHT: 707.9341
SMILES: CC(CCC(C(C)(C)O)O)C1CCC2(C1(C(CC3=C2CCC4C3(CC(C(C4(C)C)OC(=O)CC(C)(CC(=O)NCC(=O)OC)O)O)C)O)C)C
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Product OPENEYE NAME: 5-[[17-(4,5-dihydroxy-1,5-dimethyl-hexyl)-2-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxo-pentanoic acid
CAS Name: 5-[[17-(5,6-dihydroxy-6-methylheptan-2-yl)-2-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
IUPAC NAME: 5-[[17-(5,6-dihydroxy-6-methylheptan-2-yl)-2-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
SYSTEMATIC NAME: 3-methyl-3-oxidanyl-5-oxidanylidene-5-[[4,4,10,13,14-pentamethyl-17-[6-methyl-5,6-bis(oxidanyl)heptan-2-yl]-2-oxidanyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]pentanoic acid
MOLECULAR FORMULA: C36H60O8
MOLECULAR WEIGHT: 620.8568
SMILES: CC(CCC(C(C)(C)O)O)C1CCC2(C1(CCC3=C2CCC4C3(CC(C(C4(C)C)OC(=O)CC(C)(CC(=O)O)O)O)C)C)C
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Product OPENEYE NAME: 2-[2-(4-hydroxyphenyl)-7-methoxy-4-oxo-chroman-6-yl]acetic acid
CAS Name: 2-[2-(4-hydroxyphenyl)-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl]acetic acid
IUPAC NAME: 2-[2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]acetic acid
SYSTEMATIC NAME: 2-[2-(4-hydroxyphenyl)-7-methoxy-4-oxidanylidene-2,3-dihydrochromen-6-yl]ethanoic acid
MOLECULAR FORMULA: C18H16O6
MOLECULAR WEIGHT: 328.31604
SMILES: COC1=C(C=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)CC(=O)O
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Product OPENEYE NAME: 1,4-dihydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e]isobenzofuran-3-one
CAS Name: 1,4-dihydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e]isobenzofuran-3-one
IUPAC NAME: 1,4-dihydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one
SYSTEMATIC NAME: 6,6,9a-trimethyl-1,4-bis(oxidanyl)-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one
MOLECULAR FORMULA: C15H22O4
MOLECULAR WEIGHT: 266.33278
SMILES: CC1(CCCC2(C1CC(C3=C2C(OC3=O)O)O)C)C
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Product OPENEYE NAME: 1,9b-dihydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e]isobenzofuran-3-one
CAS Name: 1,9b-dihydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e]isobenzofuran-3-one
IUPAC NAME: 1,9b-dihydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one
SYSTEMATIC NAME: 6,6,9a-trimethyl-1,9b-bis(oxidanyl)-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one
MOLECULAR FORMULA: C15H22O4
MOLECULAR WEIGHT: 266.33278
SMILES: CC1(CCCC2(C1CC=C3C2(C(OC3=O)O)O)C)C
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Product OPENEYE NAME: 2-(2-hydroxy-2-phenyl-ethyl)-4-methoxy-2,3-dihydropyran-6-one
CAS Name: 2-(2-hydroxy-2-phenylethyl)-4-methoxy-2,3-dihydropyran-6-one
IUPAC NAME: 2-(2-hydroxy-2-phenylethyl)-4-methoxy-2,3-dihydropyran-6-one
SYSTEMATIC NAME: 4-methoxy-2-(2-oxidanyl-2-phenyl-ethyl)-2,3-dihydropyran-6-one
MOLECULAR FORMULA: C14H16O4
MOLECULAR WEIGHT: 248.27444
SMILES: COC1=CC(=O)OC(C1)CC(C2=CC=CC=C2)O
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Product OPENEYE NAME: 2-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
CAS Name: 2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
IUPAC NAME: 2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
SYSTEMATIC NAME: 4-methoxy-2-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-2,3-dihydropyran-6-one
MOLECULAR FORMULA: C15H18O5
MOLECULAR WEIGHT: 278.30042
SMILES: COC1=CC(=O)OC(C1)CCC2=CC(=C(C=C2)O)OC
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Product OPENEYE NAME: 6-(2-hydroxy-4-phenyl-butyl)-4-methoxy-pyran-2-one
CAS Name: 6-(2-hydroxy-4-phenylbutyl)-4-methoxy-2-pyranone
IUPAC NAME: 6-(2-hydroxy-4-phenylbutyl)-4-methoxypyran-2-one
SYSTEMATIC NAME: 4-methoxy-6-(2-oxidanyl-4-phenyl-butyl)pyran-2-one
MOLECULAR FORMULA: C16H18O4
MOLECULAR WEIGHT: 274.31172
SMILES: COC1=CC(=O)OC(=C1)CC(CCC2=CC=CC=C2)O
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