Product OPENEYE NAME: 6-acetoxy-8-[3-oxo-2-[(Z)-pent-2-enyl]cyclopenta-1,4-dien-1-yl]octanoic acid
CAS Name: 6-acetyloxy-8-[3-oxo-2-[(Z)-pent-2-enyl]-1-cyclopenta-1,4-dienyl]octanoic acid
IUPAC NAME: 6-acetyloxy-8-[3-oxo-2-[(Z)-pent-2-enyl]cyclopenta-1,4-dien-1-yl]octanoic acid
SYSTEMATIC NAME: 6-acetyloxy-8-[3-oxidanylidene-2-[(Z)-pent-2-enyl]cyclopenta-1,4-dien-1-yl]octanoic acid
MOLECULAR FORMULA: C20H28O5
MOLECULAR WEIGHT: 348.43332
SMILES: CC/C=C\CC1=C(C=CC1=O)CCC(CCCCC(=O)O)OC(=O)C
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Product OPENEYE NAME: 4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylic acid
CAS Name: 3-ethenyl-4-[2-[oxo-(3,4,5-trihydroxyphenyl)methoxy]ethyl]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydro-2H-pyran-5-carboxylic acid
IUPAC NAME: 3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
SYSTEMATIC NAME: 3-ethenyl-2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[2-[3,4,5-tris(oxidanyl)phenyl]carbonyloxyethyl]-3,4-dihydro-2H-pyran-5-carboxylic acid
MOLECULAR FORMULA: C23H28O14
MOLECULAR WEIGHT: 528.46002
SMILES: C=CC1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O)CCOC(=O)C3=CC(=C(C(=C3)O)O)O
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Product OPENEYE NAME: 2-[2,4-dihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-7-hydroxy-chroman-4-one
CAS Name: 2-[2,4-dihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: 2-[2,4-dihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-7-hydroxy-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 2-[3,5-bis(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-7-oxidanyl-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C25H28O5
MOLECULAR WEIGHT: 408.48682
SMILES: CC(=CCC1=C(C(=C(C(=C1)C2CC(=O)C3=C(O2)C=C(C=C3)O)O)CC=C(C)C)O)C
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Product OPENEYE NAME: 7-[(2E,6E)-10,11,12-trihydroxy-3,7,11-trimethyl-dodeca-2,6-dienoxy]chromen-2-one
CAS Name: 7-[(2E,6E)-10,11,12-trihydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]-1-benzopyran-2-one
IUPAC NAME: 7-[(2E,6E)-10,11,12-trihydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]chromen-2-one
SYSTEMATIC NAME: 7-[(2E,6E)-3,7,11-trimethyl-10,11,12-tris(oxidanyl)dodeca-2,6-dienoxy]chromen-2-one
MOLECULAR FORMULA: C24H32O6
MOLECULAR WEIGHT: 416.50728
SMILES: C/C(=C\CC/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)/CCC(C(C)(CO)O)O
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Product OPENEYE NAME: 2-[3-oxo-2-[(Z)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxymethyl]tetrahydropyran-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
CAS Name: 2-[3-oxo-2-[(Z)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]methyl]-2-oxanyl]oxy]pent-2-enyl]cyclopentyl]acetic acid
IUPAC NAME: 2-[3-oxo-2-[(Z)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
SYSTEMATIC NAME: 2-[2-[(Z)-5-[(2R,3R,4S,5S,6R)-6-[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxypent-2-enyl]-3-oxidanylidene-cyclopentyl]ethanoic acid
MOLECULAR FORMULA: C28H36O12
MOLECULAR WEIGHT: 564.57824
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCC/C=C\CC3C(CCC3=O)CC(=O)O)O)O)O)O
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Product OPENEYE NAME: 1-[4-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrobenzofuran-5-yl]-3-phenyl-propan-1-one
CAS Name: 1-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-yl]-3-phenyl-1-propanone
IUPAC NAME: 1-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-phenylpropan-1-one
SYSTEMATIC NAME: 1-[4-oxidanyl-2-(2-oxidanylpropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-phenyl-propan-1-one
MOLECULAR FORMULA: C20H22O4
MOLECULAR WEIGHT: 326.38628
SMILES: CC(C)(C1CC2=C(O1)C=CC(=C2O)C(=O)CCC3=CC=CC=C3)O
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Product OPENEYE NAME: 2-[2,6-dihydroxy-3-[1-(hydroxymethyl)vinyl]-4-methyl-4-vinyl-cyclohexyl]prop-2-enoic acid
CAS Name: 2-[4-ethenyl-2,6-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]-2-propenoic acid
IUPAC NAME: 2-[4-ethenyl-2,6-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]prop-2-enoic acid
SYSTEMATIC NAME: 2-[4-ethenyl-4-methyl-2,6-bis(oxidanyl)-3-(3-oxidanylprop-1-en-2-yl)cyclohexyl]prop-2-enoic acid
MOLECULAR FORMULA: C15H22O5
MOLECULAR WEIGHT: 282.33218
SMILES: CC1(CC(C(C(C1C(=C)CO)O)C(=C)C(=O)O)O)C=C
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Product OPENEYE NAME: [3-hydroxy-4-[1-(hydroxymethyl)vinyl]-2-(1-methoxycarbonylvinyl)-5-methyl-5-vinyl-cyclohexyl] 4-acetoxy-3-hydroxy-2-methylene-butanoate
CAS Name: 4-acetyloxy-3-hydroxy-2-methylenebutanoic acid [5-ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] ester
IUPAC NAME: [5-ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] 4-acetyloxy-3-hydroxy-2-methylidenebutanoate
SYSTEMATIC NAME: [5-ethenyl-2-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)-5-methyl-3-oxidanyl-4-(3-oxidanylprop-1-en-2-yl)cyclohexyl] 4-acetyloxy-2-methylidene-3-oxidanyl-butanoate
MOLECULAR FORMULA: C23H32O9
MOLECULAR WEIGHT: 452.49478
SMILES: CC(=O)OCC(C(=C)C(=O)OC1CC(C(C(C1C(=C)C(=O)OC)O)C(=C)CO)(C)C=C)O
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Product OPENEYE NAME: 2-[6-[(Z)-4-acetoxy-2-methyl-but-2-enoyl]oxy-2-hydroxy-3-[1-(hydroxymethyl)vinyl]-4-methyl-4-vinyl-cyclohexyl]prop-2-enoic acid
CAS Name: 2-[6-[(Z)-4-acetyloxy-2-methyl-1-oxobut-2-enoxy]-4-ethenyl-2-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]-2-propenoic acid
IUPAC NAME: 2-[6-[(Z)-4-acetyloxy-2-methylbut-2-enoyl]oxy-4-ethenyl-2-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]prop-2-enoic acid
SYSTEMATIC NAME: 2-[6-[(Z)-4-acetyloxy-2-methyl-but-2-enoyl]oxy-4-ethenyl-4-methyl-2-oxidanyl-3-(3-oxidanylprop-1-en-2-yl)cyclohexyl]prop-2-enoic acid
MOLECULAR FORMULA: C22H30O8
MOLECULAR WEIGHT: 422.4688
SMILES: C/C(=C/COC(=O)C)/C(=O)OC1CC(C(C(C1C(=C)C(=O)O)O)C(=C)CO)(C)C=C
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Product OPENEYE NAME: methyl 3-acetonyl-1-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-naphthalene-2-carboxylate
CAS Name: 1-hydroxy-6-methoxy-3-(2-oxopropyl)-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-2-naphthalenecarboxylic acid methyl ester
IUPAC NAME: methyl 1-hydroxy-6-methoxy-3-(2-oxopropyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxynaphthalene-2-carboxylate
SYSTEMATIC NAME: methyl 8-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methoxy-1-oxidanyl-3-(2-oxidanylidenepropyl)naphthalene-2-carboxylate
MOLECULAR FORMULA: C28H36O16
MOLECULAR WEIGHT: 628.57584
SMILES: CC(=O)CC1=C(C(=C2C(=C1)C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)OC)O)C(=O)OC
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Product OPENEYE NAME: (1S,4aS,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,7a-dihydrocyclopenta[c]pyran-5-one
CAS Name: (1S,4aS,7aR)-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4a-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1,7a-dihydrocyclopenta[c]pyran-5-one
IUPAC NAME: (1S,4aS,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,7a-dihydrocyclopenta[c]pyran-5-one
SYSTEMATIC NAME: (1S,4aS,7aR)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-4a-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,7a-dihydrocyclopenta[c]pyran-5-one
MOLECULAR FORMULA: C21H30O13
MOLECULAR WEIGHT: 490.4551
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@]23C=CO[C@H]([C@@H]2C(=CC3=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
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Product OPENEYE NAME: [(2S,3R,4R,5R,6S)-2-[[(1S,4aS,7aR)-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,7a-dihydrocyclopenta[c]pyran-4a-yl]oxy]-4,5-dihydroxy-6-methyl-tetrahydropyran-3-yl] (E)-3-phenylprop-2-enoate
CAS Name: (E)-3-phenyl-2-propenoic acid [(2S,3R,4R,5R,6S)-2-[[(1S,4aS,7aR)-7-methyl-5-oxo-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,7a-dihydrocyclopenta[c]pyran-4a-yl]oxy]-4,5-dihydroxy-6-methyl-3-oxanyl] ester
IUPAC NAME: [(2S,3R,4R,5R,6S)-2-[[(1S,4aS,7aR)-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,7a-dihydrocyclopenta[c]pyran-4a-yl]oxy]-4,5-dihydroxy-6-methyloxan-3-yl] (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: [(2S,3R,4R,5R,6S)-2-[[(1S,4aS,7aR)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-5-oxidanylidene-1,7a-dihydrocyclopenta[c]pyran-4a-yl]oxy]-6-methyl-4,5-bis(oxidanyl)oxan-3-yl] (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C30H36O14
MOLECULAR WEIGHT: 620.59844
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@]23C=CO[C@H]([C@@H]2C(=CC3=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC(=O)/C=C/C5=CC=CC=C5)O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C54H88O21
MOLECULAR WEIGHT: 1073.26392
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O[C@H]5CC[C@]6(C([C@]5(C)CO)CC[C@@]7(C6C=C[C@@]89[C@]7(CC[C@@]1([C@H]8CC(CC1)(C)C)CO9)C)C)C)C)O)CO)O)O
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[3-hydroxy-2-[(E)-3-(4-hydroxy-3-methoxy-phenyl)allyloxy]propoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2R,3R,4S,5S,6R)-2-[3-hydroxy-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5S,6R)-2-[3-hydroxy-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoxy]-3-oxidanyl-propoxy]oxane-3,4,5-triol
MOLECULAR FORMULA: C19H28O10
MOLECULAR WEIGHT: 416.41962
SMILES: COC1=C(C=CC(=C1)/C=C/COC(CO)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
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Product OPENEYE NAME: 4-[2-hydroxy-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexylidene]but-3-en-2-one
CAS Name: 4-[2-hydroxy-2,6,6-trimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]cyclohexylidene]-3-buten-2-one
IUPAC NAME: 4-[2-hydroxy-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]but-3-en-2-one
SYSTEMATIC NAME: 4-[4-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,2,6-trimethyl-6-oxidanyl-cyclohexylidene]but-3-en-2-one
MOLECULAR FORMULA: C19H30O8
MOLECULAR WEIGHT: 386.4367
SMILES: CC(=O)C=C=C1C(CC(CC1(C)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)C
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Product OPENEYE NAME: 8-(hydroxymethyl)-6-isopropyl-3-methyl-naphthalen-2-ol
CAS Name: 8-(hydroxymethyl)-3-methyl-6-propan-2-yl-2-naphthalenol
IUPAC NAME: 8-(hydroxymethyl)-3-methyl-6-propan-2-ylnaphthalen-2-ol
SYSTEMATIC NAME: 8-(hydroxymethyl)-3-methyl-6-propan-2-yl-naphthalen-2-ol
MOLECULAR FORMULA: C15H18O2
MOLECULAR WEIGHT: 230.30222
SMILES: CC1=CC2=CC(=CC(=C2C=C1O)CO)C(C)C
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Product OPENEYE NAME: 1-[2-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]ethanone
CAS Name: 1-[2-hydroxy-6-methyl-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]ethanone
IUPAC NAME: 1-[2-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
SYSTEMATIC NAME: 1-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methyl-6-oxidanyl-phenyl]ethanone
MOLECULAR FORMULA: C15H20O8
MOLECULAR WEIGHT: 328.3145
SMILES: CC1=CC(=CC(=C1C(=O)C)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
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