Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H18O7
MOLECULAR WEIGHT: 394.37412
SMILES: COC1=C(C=C2C(=C1)C3=C(CO2)OC4=C(C3=O)C=CC5=C4CC(O5)C(=C)CO)O
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Product OPENEYE NAME: 6-[2-[(9-acetoxy-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-tetrahydropyran-2-carboxylic acid
CAS Name: 6-[[2-[(9-acetyloxy-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 acid
IUPAC NAME: 6-[2-[(9-acetyloxy-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 acid
SYSTEMATIC NAME: 6-[2-[(9-acetyloxy-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)oxane-2-carboxylic acid
MOLECULAR FORMULA: C44H64O18
MOLECULAR WEIGHT: 880.96816
SMILES: CC(=O)OC1CC(CC2C1(CCC3(C2=CC(=O)C4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C)C)C)C)(C)C(=O)O
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Product OPENEYE NAME: 4-[7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)chroman-3-yl]benzene-1,3-diol
CAS Name: 4-[7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-1-benzopyran-3-yl]benzene-1,3-diol
IUPAC NAME: 4-[7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol
SYSTEMATIC NAME: 4-[5-methoxy-6-(3-methylbut-2-enyl)-7-oxidanyl-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol
MOLECULAR FORMULA: C21H24O5
MOLECULAR WEIGHT: 356.41226
SMILES: CC(=CCC1=C(C=C2C(=C1OC)CC(CO2)C3=C(C=C(C=C3)O)O)O)C
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Product OPENEYE NAME: [(2R,3S,4S,5R,6S)-6-[4-[6-[4-[(2S,3R,4S,5S,6R)-6-(acetoxymethyl)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3-methoxy-phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenox
CAS Name: acetic acid [(2R,3S,4S,5R,6S)-6-[4-[6-[4-[[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-4,5-dihydroxy-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-3-methoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-3,4,5
IUPAC NAME: [(2R,3S,4S,5R,6S)-6-[4-[6-[4-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-methoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-
SYSTEMATIC NAME: [(2R,3S,4S,5R,6S)-6-[4-[6-[4-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-methoxy-phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenoxy]-3,4,5-tris(
MOLECULAR FORMULA: C42H56O22
MOLECULAR WEIGHT: 912.88084
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(C=C(C=C3)C4C5COC(C5CO4)C6=CC(=C(C=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)C)O)O)O)OC)OC)COC(=O)C)O)O)O)O)O
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Product OPENEYE NAME: [(2R,3S,4S,5R,6S)-6-[4-[6-[4-[(2S,3R,4S,5S,6R)-6-(acetoxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-methoxy-phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3S,4S,5R,6S)-6-[4-[6-[4-[[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxy-2-oxanyl]oxy]-3-methoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3S,4S,5R,6S)-6-[4-[6-[4-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-methoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6S)-6-[4-[6-[4-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methoxy-phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C36H46O18
MOLECULAR WEIGHT: 766.73964
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2)C3C4COC(C4CO3)C5=CC(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)O)O)O)OC)OC)O)O)O
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Product OPENEYE NAME: (E)-1,7-bis(3,4-dihydroxyphenyl)-6-hydroxy-hept-4-en-3-one
CAS Name: (E)-1,7-bis(3,4-dihydroxyphenyl)-6-hydroxy-4-hepten-3-one
IUPAC NAME: (E)-1,7-bis(3,4-dihydroxyphenyl)-6-hydroxyhept-4-en-3-one
SYSTEMATIC NAME: (E)-1,7-bis[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-hept-4-en-3-one
MOLECULAR FORMULA: C19H20O6
MOLECULAR WEIGHT: 344.3585
SMILES: C1=CC(=C(C=C1CCC(=O)/C=C/C(CC2=CC(=C(C=C2)O)O)O)O)O
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Product OPENEYE NAME: 1,7-bis(3,4-dihydroxyphenyl)-6-hydroxy-heptan-3-one
CAS Name: 1,7-bis(3,4-dihydroxyphenyl)-6-hydroxy-3-heptanone
IUPAC NAME: 1,7-bis(3,4-dihydroxyphenyl)-6-hydroxyheptan-3-one
SYSTEMATIC NAME: 1,7-bis[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-heptan-3-one
MOLECULAR FORMULA: C19H22O6
MOLECULAR WEIGHT: 346.37438
SMILES: C1=CC(=C(C=C1CCC(=O)CCC(CC2=CC(=C(C=C2)O)O)O)O)O
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Product OPENEYE NAME: 1,7-bis(3,4-dihydroxyphenyl)-6-methoxy-heptan-3-one
CAS Name: 1,7-bis(3,4-dihydroxyphenyl)-6-methoxy-3-heptanone
IUPAC NAME: 1,7-bis(3,4-dihydroxyphenyl)-6-methoxyheptan-3-one
SYSTEMATIC NAME: 1,7-bis[3,4-bis(oxidanyl)phenyl]-6-methoxy-heptan-3-one
MOLECULAR FORMULA: C20H24O6
MOLECULAR WEIGHT: 360.40096
SMILES: COC(CCC(=O)CCC1=CC(=C(C=C1)O)O)CC2=CC(=C(C=C2)O)O
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Product OPENEYE NAME: [(2S,3S,4R,5R,6S)-4,5-diacetoxy-6-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6S)-4-acetoxy-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-4,5-dihydroxy-2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]tetrahydropyran-3-yl]oxy-2-methyl-tet
CAS Name: acetic acid [(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-[[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6S)-4-acetyloxy-3,5-dihydroxy-6-methyl-2-oxanyl]oxymethyl]-4,5-dihydroxy-2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]-3-oxanyl]oxy]-2-methyl-3-oxanyl
IUPAC NAME: [(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6S)-4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-4,5-dihydroxy-2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxan-3-yl]oxy-2-methyloxan-3-yl] acetate
SYSTEMATIC NAME: [(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6S)-4-acetyloxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)-2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxan-3-yl]oxy-2-methyl-oxan-3-yl] eth
MOLECULAR FORMULA: C46H72O18
MOLECULAR WEIGHT: 913.05308
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)OC(=O)C)OC(=O)C)OC(=O)C)O)O)O)OC(=O)C)O
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Product OPENEYE NAME: [(2S,3S,4R,5R,6S)-4,5-diacetoxy-6-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3-acetoxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-4,5-dihydroxy-2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]tetrahydropyran-3-yl]oxy-2-methyl-tet
CAS Name: acetic acid [(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-[[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3-acetyloxy-4,5-dihydroxy-6-methyl-2-oxanyl]oxymethyl]-4,5-dihydroxy-2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]-3-oxanyl]oxy]-2-methyl-3-oxanyl
IUPAC NAME: [(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3-acetyloxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-4,5-dihydroxy-2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxan-3-yl]oxy-2-methyloxan-3-yl] acetate
SYSTEMATIC NAME: [(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3-acetyloxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)-2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxan-3-yl]oxy-2-methyl-oxan-3-yl] eth
MOLECULAR FORMULA: C46H72O18
MOLECULAR WEIGHT: 913.05308
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)OC(=O)C)OC(=O)C)OC(=O)C)O)O)OC(=O)C)O)O
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Product OPENEYE NAME: 2-[[(E)-3-[2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]prop-2-enoyl]amino]pentanedioic acid
CAS Name: 2-[[(E)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]-1-oxoprop-2-enyl]amino]pentanedioic acid
IUPAC NAME: 2-[[(E)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[(E)-3-[3-(hydroxymethyl)-7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoyl]amino]pentanedioic acid
MOLECULAR FORMULA: C25H27NO10
MOLECULAR WEIGHT: 501.48258
SMILES: COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)/C=C/C(=O)NC(CCC(=O)O)C(=O)O
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[(E)-4,7-dihydroxy-3,7-dimethyl-oct-2-enoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2R,3R,4S,5S,6R)-2-[(E)-4,7-dihydroxy-3,7-dimethyloct-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5S,6R)-2-[(E)-4,7-dihydroxy-3,7-dimethyloct-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[(E)-3,7-dimethyl-4,7-bis(oxidanyl)oct-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C16H30O8
MOLECULAR WEIGHT: 350.4046
SMILES: C/C(=C\CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C(CCC(C)(C)O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H34O10
MOLECULAR WEIGHT: 530.56356
SMILES: C[C@H]1CC2=CC3=C(C4=C2C5=C(C(=C(C=C5C([C@]1(C)O)OC(=O)C(C(CO4)C)(C)O)OC)OC)OC)OCO3
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Product OPENEYE NAME: [5-[4-[3,5-dihydroxy-4-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3-hydroxy-4-[(2Z)-6-hydroxy-2,6-dimethyl-octa-2,7-dienoyl]
CAS Name: 10-[[5-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [5-
IUPAC NAME: [5-[4-[3,5-dihydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-[(2Z)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxyoxan-2-yl] 10-[5-[3,5-dihydroxy-6-(hydroxymet
SYSTEMATIC NAME: [4-[(2Z)-2,6-dimethyl-6-oxidanyl-octa-2,7-dienoyl]oxy-5-[5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[4-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-oxan-2-yl] 10-[6-(hydroxyme
MOLECULAR FORMULA: C84H134O41
MOLECULAR WEIGHT: 1799.93816
SMILES: CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(COC(C3O)OC4COC(C(C4OC(=O)/C(=C\CCC(C)(C=C)O)/C)O)OC(=O)C56CCC(CC5C7=CCC8C9(CCC(C(C9CCC8(C7(CC6O)C)C)(C)C)OC1C(C(C(C(O1)CO)OC1C(C(C(C(O1)CO)O)OC1C(C(C(CO1)O)O)O)O)O)O)C)(C)C)OC1C(C(C(C(O1)CO)O)O)O)O)O)O)O
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Product OPENEYE NAME: methyl 5-hydroxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
CAS Name: 5-hydroxy-6-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-7-methyl-1-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
IUPAC NAME: methyl 5-hydroxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
SYSTEMATIC NAME: methyl 1-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-5-oxidanyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
MOLECULAR FORMULA: C26H32O13
MOLECULAR WEIGHT: 552.52448
SMILES: CC1C2C(C(C1OC(=O)/C=C/C3=CC=C(C=C3)O)O)C(=COC2OC4C(C(C(C(O4)CO)O)O)O)C(=O)OC
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Product OPENEYE NAME: (4-acetoxy-2-hydroxy-heptadec-16-ynyl) acetate
CAS Name: acetic acid (4-acetyloxy-2-hydroxyheptadec-16-ynyl) ester
IUPAC NAME: (4-acetyloxy-2-hydroxyheptadec-16-ynyl) acetate
SYSTEMATIC NAME: (4-acetyloxy-2-oxidanyl-heptadec-16-ynyl) ethanoate
MOLECULAR FORMULA: C21H36O5
MOLECULAR WEIGHT: 368.50754
SMILES: CC(=O)OCC(CC(CCCCCCCCCCCC#C)OC(=O)C)O
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Product OPENEYE NAME: (E)-heptadec-14-ene-1,2,4-triol
CAS Name: (E)-14-heptadecene-1,2,4-triol
IUPAC NAME: (E)-heptadec-14-ene-1,2,4-triol
SYSTEMATIC NAME: (E)-heptadec-14-ene-1,2,4-triol
MOLECULAR FORMULA: C17H34O3
MOLECULAR WEIGHT: 286.45006
SMILES: CC/C=C/CCCCCCCCCC(CC(CO)O)O
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