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CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H38O9
MOLECULAR WEIGHT: 518.59592
SMILES: CC1C(=O)C2(C(C(=O)O1)C3(C(CC4C(OC(=O)CC(C4(C3CC2=C)C)OC(=O)C)(C)C)OC(=O)C)C)C
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Product OPENEYE NAME: (2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxo-4a,5,6,6a,10b,11-hexahydronaphtho[1,2-h]isochromen-5-yl) acetate
CAS Name: acetic acid (2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxo-4a,5,6,6a,10b,11-hexahydronaphtho[1,2-h][2]benzopyran-5-yl) ester
IUPAC NAME: (2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,10b,11-hexahydronaphtho[1,2-h]isochromen-5-yl) acetate
SYSTEMATIC NAME: [2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-tris(oxidanylidene)-4a,5,6,6a,10b,11-hexahydronaphtho[1,2-h]isochromen-5-yl] ethanoate
MOLECULAR FORMULA: C26H34O6
MOLECULAR WEIGHT: 442.54456
SMILES: CC1C(=O)C2(C(C(=O)O1)C3(C(CC4C(C(=O)C=CC4(C3CC2=C)C)(C)C)OC(=O)C)C)C
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Product OPENEYE NAME: (6-hydroxy-7-methyl-8-oxo-3-propyl-5,6-dihydro-1H-isochromen-7-yl) 2-hydroxy-4-methoxy-6-methyl-benzoate
CAS Name: 2-hydroxy-4-methoxy-6-methylbenzoic acid (6-hydroxy-7-methyl-8-oxo-3-propyl-5,6-dihydro-1H-2-benzopyran-7-yl) ester
IUPAC NAME: (6-hydroxy-7-methyl-8-oxo-3-propyl-5,6-dihydro-1H-isochromen-7-yl) 2-hydroxy-4-methoxy-6-methylbenzoate
SYSTEMATIC NAME: (7-methyl-6-oxidanyl-8-oxidanylidene-3-propyl-5,6-dihydro-1H-isochromen-7-yl) 4-methoxy-2-methyl-6-oxidanyl-benzoate
MOLECULAR FORMULA: C22H26O7
MOLECULAR WEIGHT: 402.43764
SMILES: CCCC1=CC2=C(CO1)C(=O)C(C(C2)O)(C)OC(=O)C3=C(C=C(C=C3C)OC)O
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Product OPENEYE NAME: 1-oxo-4-(1H-pyrrol-2-yl)-2H-isoquinoline-3-carboxylic acid
CAS Name: 1-oxo-4-(1H-pyrrol-2-yl)-2H-isoquinoline-3-carboxylic acid
IUPAC NAME: 1-oxo-4-(1H-pyrrol-2-yl)-2H-isoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-oxidanylidene-4-(1H-pyrrol-2-yl)-2H-isoquinoline-3-carboxylic acid
MOLECULAR FORMULA: C14H10N2O3
MOLECULAR WEIGHT: 254.2408
SMILES: C1=CC=C2C(=C1)C(=C(NC2=O)C(=O)O)C3=CC=CN3
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Product OPENEYE NAME: methyl 3,5-dihydroxy-7-[2-methyl-8-(2-methylbutanoyloxy)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]heptanoate
CAS Name: 3,5-dihydroxy-7-[2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]heptanoic acid methyl ester
IUPAC NAME: methyl 3,5-dihydroxy-7-[2-methyl-8-(2-methylbutanoyloxy)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]heptanoate
SYSTEMATIC NAME: methyl 7-[2-methyl-8-(2-methylbutanoyloxy)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-bis(oxidanyl)heptanoate
MOLECULAR FORMULA: C24H40O6
MOLECULAR WEIGHT: 424.5708
SMILES: CCC(C)C(=O)OC1CCCC2C1C(C(C=C2)C)CCC(CC(CC(=O)OC)O)O
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Product OPENEYE NAME:
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IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H38N6O10
MOLECULAR WEIGHT: 678.68902
SMILES: CCC(C)C(=O)C(=O)NC1CC2=CC(=C(C=C2)O)C3=C4C(=CC=C3)C(C(C(NC(=O)C(NC1=O)CC(=O)N)C(=O)N/C=C\C)O)(C(=O)N4)O
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C28H36O9
MOLECULAR WEIGHT: 516.58004
SMILES: CC1=CC2C(CC(C3C24CCC(C3(C)C)OC4=O)OC(=O)C)(C5(C1(C(=O)C(C5=O)(C)O)C)C(=O)OC)C
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Product OPENEYE NAME: methyl 3,15,21-tris[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]docosanoate
CAS Name: 3,15,21-tris[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]docosanoic acid methyl ester
IUPAC NAME: methyl 3,15,21-tris[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]docosanoate
SYSTEMATIC NAME: methyl 3,15,21-tris[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]docosanoate
MOLECULAR FORMULA: C41H76O20
MOLECULAR WEIGHT: 889.03014
SMILES: CC(CCCCCC(CCCCCCCCCCCC(CC(=O)OC)OC1C(C(C(C(O1)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)OC3C(C(C(C(O3)CO)O)O)O
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Product OPENEYE NAME: methyl 21-hydroxy-3,15-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]docosanoate
CAS Name: 21-hydroxy-3,15-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]docosanoic acid methyl ester
IUPAC NAME: methyl 21-hydroxy-3,15-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]docosanoate
SYSTEMATIC NAME: methyl 3,15-bis[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]-21-oxidanyl-docosanoate
MOLECULAR FORMULA: C35H66O15
MOLECULAR WEIGHT: 726.88954
SMILES: CC(CCCCCC(CCCCCCCCCCCC(CC(=O)OC)OC1C(C(C(C(O1)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O
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Product OPENEYE NAME: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxo-chromen-7-yl]oxy-tetrahydropyran-2-carboxylic acid
CAS Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[3-(4-hydroxyphenyl)-6-methoxy-4-oxo-1-benzopyran-7-yl]oxy]-2-oxanecarboxylic acid
IUPAC NAME: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C22H20O11
MOLECULAR WEIGHT: 460.3876
SMILES: COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
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