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MOLECULAR FORMULA: C26H42O12
MOLECULAR WEIGHT: 546.60448
SMILES: C[C@]12CC[C@H]([C@](C1[C@H]([C@H](C34C2CCC(C3)C(C4)(CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)(C)C(=O)O)O
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Product OPENEYE NAME: [(1S,4aS,5R,7S)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(1S,4aS,5R,7S)-4a,5-dihydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] ester
IUPAC NAME: [(1S,4aS,5R,7S)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(1S,4aS,5R,7S)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-4a,5-bis(oxidanyl)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C24H30O12
MOLECULAR WEIGHT: 510.4878
SMILES: C[C@@]1(C[C@H]([C@]2(C1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O
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MOLECULAR FORMULA: C19H24O9
MOLECULAR WEIGHT: 396.38846
SMILES: CC(=O)OCC1=C/2[C@H](C[C@@](C3(CCC(O3)(/C=C2/OC1=O)C)O)(C)O)OC(=O)C
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Product OPENEYE NAME: (2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aR,11S,12aS,14bR)-11-methoxycarbonyl-4,4,6a,6b,11,14b-hexamethyl-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,
CAS Name: (2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aR,11S,12aS,14bR)-11-methoxycarbonyl-4,4,6a,6b,11,14b-hexamethyl-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]-3,4,5-t
IUPAC NAME: (2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aR,11S,12aS,14bR)-11-methoxycarbonyl-4,4,6a,6b,11,14b-hexamethyl-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]-3,4,5-trihydr
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aR,11S,12aS,14bR)-8a-[(2S,3R,4S,5S,6R)-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]-3,4,5-tri
MOLECULAR FORMULA: C43H66O16
MOLECULAR WEIGHT: 838.97454
SMILES: C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CCC4[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)C)[C@@H]2C1)C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)OC
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Product OPENEYE NAME: (1S,4aR,10aR)-1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
CAS Name: (1S,4aR,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
IUPAC NAME: (1S,4aR,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
SYSTEMATIC NAME: (1S,4aR,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: C[C@]12CCC[C@]([C@@H]1CCC3=CC(CCC23)(C)C=C)(C)C(=O)O
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Product OPENEYE NAME: 6,8-dihydroxy-3-(10-hydroxyundecyl)isochroman-1-one
CAS Name: 6,8-dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydro-1H-2-benzopyran-1-one
IUPAC NAME: 6,8-dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydroisochromen-1-one
SYSTEMATIC NAME: 6,8-bis(oxidanyl)-3-(10-oxidanylundecyl)-3,4-dihydroisochromen-1-one
MOLECULAR FORMULA: C20H30O5
MOLECULAR WEIGHT: 350.4492
SMILES: CC(CCCCCCCCCC1CC2=CC(=CC(=C2C(=O)O1)O)O)O
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Product OPENEYE NAME: [(3S,4S,6R,8aS)-8-acetoxy-3,6-dihydroxy-3-isopropyl-6,8a-dimethyl-4,5,7,8-tetrahydro-3aH-azulen-4-yl] 4-hydroxybenzoate
CAS Name: 4-hydroxybenzoic acid [(3S,4S,6R,8aS)-8-acetyloxy-3,6-dihydroxy-6,8a-dimethyl-3-propan-2-yl-4,5,7,8-tetrahydro-3aH-azulen-4-yl] ester
IUPAC NAME: [(3S,4S,6R,8aS)-8-acetyloxy-3,6-dihydroxy-6,8a-dimethyl-3-propan-2-yl-4,5,7,8-tetrahydro-3aH-azulen-4-yl] 4-hydroxybenzoate
SYSTEMATIC NAME: [(3S,4S,6R,8aS)-8-acetyloxy-6,8a-dimethyl-3,6-bis(oxidanyl)-3-propan-2-yl-4,5,7,8-tetrahydro-3aH-azulen-4-yl] 4-oxidanylbenzoate
MOLECULAR FORMULA: C24H32O7
MOLECULAR WEIGHT: 432.50668
SMILES: CC(C)[C@@]1(C=C[C@]2(C1[C@H](C[C@@](CC2OC(=O)C)(C)O)OC(=O)C3=CC=C(C=C3)O)C)O
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Product OPENEYE NAME: [(3R,4S,8aS)-2-acetoxy-3,8-dihydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,7,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
CAS Name: 4-hydroxybenzoic acid [(3R,4S,8aS)-2-acetyloxy-3,8-dihydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,7,8-hexahydroazulen-4-yl] ester
IUPAC NAME: [(3R,4S,8aS)-2-acetyloxy-3,8-dihydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,7,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
SYSTEMATIC NAME: [(3R,4S,8aS)-2-acetyloxy-6,8a-dimethyl-3,8-bis(oxidanyl)-3-propan-2-yl-1,2,3a,4,7,8-hexahydroazulen-4-yl] 4-oxidanylbenzoate
MOLECULAR FORMULA: C24H32O7
MOLECULAR WEIGHT: 432.50668
SMILES: CC1=C[C@@H](C2[C@](CC([C@]2(C(C)C)O)OC(=O)C)(C(C1)O)C)OC(=O)C3=CC=C(C=C3)O
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Product OPENEYE NAME: [(1aS,2aR,3S,5R,6S,7aR)-3-acetoxy-5-hydroxy-5-isopropyl-2a,7a-dimethyl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl] 4-hydroxybenzoate
CAS Name: 4-hydroxybenzoic acid [(1aS,2aR,3S,5R,6S,7aR)-3-acetyloxy-5-hydroxy-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl] ester
IUPAC NAME: [(1aS,2aR,3S,5R,6S,7aR)-3-acetyloxy-5-hydroxy-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl] 4-hydroxybenzoate
SYSTEMATIC NAME: [(1aS,2aR,3S,5R,6S,7aR)-3-acetyloxy-2a,7a-dimethyl-5-oxidanyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl] 4-oxidanylbenzoate
MOLECULAR FORMULA: C24H32O7
MOLECULAR WEIGHT: 432.50668
SMILES: CC(C)[C@@]1(C[C@@H]([C@]2(C1[C@H](C[C@@]3([C@H](C2)O3)C)OC(=O)C4=CC=C(C=C4)O)C)OC(=O)C)O
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Product OPENEYE NAME: [(3R,4S,8S,8aS)-8-acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-methoxybenzoate
CAS Name: 4-methoxybenzoic acid [(3R,4S,8S,8aS)-8-acetyloxy-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] ester
IUPAC NAME: [(3R,4S,8S,8aS)-8-acetyloxy-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-methoxybenzoate
SYSTEMATIC NAME: [(3R,4S,8S,8aS)-8-acetyloxy-6,8a-dimethyl-3-oxidanyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-methoxybenzoate
MOLECULAR FORMULA: C25H34O6
MOLECULAR WEIGHT: 430.53386
SMILES: CC1=C[C@@H]([C@]2(CC[C@](C2[C@H](C1)OC(=O)C3=CC=C(C=C3)OC)(C(C)C)O)C)OC(=O)C
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MOLECULAR FORMULA: C30H46O9
MOLECULAR WEIGHT: 550.68084
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2CCC3(C(C2)CCC45C3CCC6(C4(OC7(C6CC5)CC(=O)OC7)O)C)C)O)OC)O
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Product OPENEYE NAME: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1S,4aR,6aS,6bR,10R,11R,12aR)-1,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
CAS Name: (1S,4aR,6aS,6bR,10R,11R,12aR)-1,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester
IUPAC NAME: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aS,6bR,10R,11R,12aR)-1,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1S,4aR,6aS,6bR,10R,11R,12aR)-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,10,11-tris(oxidanyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
MOLECULAR FORMULA: C36H58O12
MOLECULAR WEIGHT: 682.83852
SMILES: C[C@@]12CCC3[C@@](C1CC=C4[C@]2(CC[C@@]5(C4[C@@H](C(CC5)(C)C)O)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@H]([C@@H](C3(CO)CO)O)O)C
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Product OPENEYE NAME: [(3S,4R)-5-[4,5-dihydroxy-6-[4-[3-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxy-phenoxy]-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,4-dihydroxy-tetrahydrofuran-3-yl]methyl 4-hydroxy-3,5-dimethoxy-benzoate
CAS Name: 4-hydroxy-3,5-dimethoxybenzoic acid [(3S,4R)-5-[[4,5-dihydroxy-6-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-2-(hydroxymethyl)-3-oxanyl]oxy]-3,4-dihydroxy-3-oxolanyl]methyl ester
IUPAC NAME: [(3S,4R)-5-[4,5-dihydroxy-6-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
SYSTEMATIC NAME: [(3S,4R)-5-[6-[4-[3-(3,5-dimethoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxy-phenoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4-bis(oxidanyl)oxolan-3-yl]methyl 3,5-dimethoxy-4-oxidanyl-benzoate
MOLECULAR FORMULA: C42H52O21
MOLECULAR WEIGHT: 892.84968
SMILES: COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC5C(C(C(C(O5)CO)OC6[C@@H]([C@](CO6)(COC(=O)C7=CC(=C(C(=C7)OC)O)OC)O)O)O)O)OC
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MOLECULAR FORMULA: C15H22O5
MOLECULAR WEIGHT: 282.33218
SMILES: C[C@@H]1CCC2[C@H](C(=O)OC3[C@@]24C1CCC(O3)(OO4)C)C
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Product OPENEYE NAME: 1-[4-[(2S,3R,4S,5R)-3-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-phenyl]ethanone
CAS Name: 1-[4-[[(2S,3R,4S,5R)-3-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxy]-4,5-dihydroxy-2-oxanyl]oxy]-3-hydroxyphenyl]ethanone
IUPAC NAME: 1-[4-[(2S,3R,4S,5R)-3-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxyphenyl]ethanone
SYSTEMATIC NAME: 1-[4-[(2S,3R,4S,5R)-3-[(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-phenyl]ethanone
MOLECULAR FORMULA: C19H26O12
MOLECULAR WEIGHT: 446.40254
SMILES: CC(=O)C1=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O
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Product OPENEYE NAME: [(2Z)-6-hydroxy-2,6-dimethyl-octa-2,7-dienyl] 2-(5-methyl-5-vinyl-tetrahydrofuran-2-yl)propanoate
CAS Name: 2-(5-ethenyl-5-methyl-2-oxolanyl)propanoic acid [(2Z)-6-hydroxy-2,6-dimethylocta-2,7-dienyl] ester
IUPAC NAME: [(2Z)-6-hydroxy-2,6-dimethylocta-2,7-dienyl] 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate
SYSTEMATIC NAME: [(2Z)-2,6-dimethyl-6-oxidanyl-octa-2,7-dienyl] 2-(5-ethenyl-5-methyl-oxolan-2-yl)propanoate
MOLECULAR FORMULA: C20H32O4
MOLECULAR WEIGHT: 336.46568
SMILES: CC(C1CCC(O1)(C)C=C)C(=O)OC/C(=C\CCC(C)(C=C)O)/C
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MOLECULAR FORMULA: C20H24O7
MOLECULAR WEIGHT: 376.40036
SMILES: C/C=C(/C)\C(=O)O[C@H]1CC2([C@H](O2)[C@@H]3[C@@H](O3)C(=C)[C@H]([C@@H]4[C@@H]1C(=C)C(=O)O4)O)C
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