Product OPENEYE NAME: 9-hydroxy-3-methoxycarbonyl-2-methylene-nonanoic acid
CAS Name: 9-hydroxy-3-methoxycarbonyl-2-methylenenonanoic acid
IUPAC NAME: 9-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid
SYSTEMATIC NAME: 3-methoxycarbonyl-2-methylidene-9-oxidanyl-nonanoic acid
MOLECULAR FORMULA: C12H20O5
MOLECULAR WEIGHT: 244.2842
SMILES: COC(=O)C(CCCCCCO)C(=C)C(=O)O
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Product OPENEYE NAME: 4-(1,7-dihydroxyoctyl)-2-hydroxy-3-methyl-2H-furan-5-one
CAS Name: 4-(1,7-dihydroxyoctyl)-2-hydroxy-3-methyl-2H-furan-5-one
IUPAC NAME: 4-(1,7-dihydroxyoctyl)-2-hydroxy-3-methyl-2H-furan-5-one
SYSTEMATIC NAME: 4-[1,7-bis(oxidanyl)octyl]-3-methyl-2-oxidanyl-2H-furan-5-one
MOLECULAR FORMULA: C13H22O5
MOLECULAR WEIGHT: 258.31078
SMILES: CC1=C(C(=O)OC1O)C(CCCCCC(C)O)O
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Product OPENEYE NAME: 4-(1,8-dihydroxy-8-methyl-nonyl)-2-hydroxy-3-methyl-2H-furan-5-one
CAS Name: 4-(1,8-dihydroxy-8-methylnonyl)-2-hydroxy-3-methyl-2H-furan-5-one
IUPAC NAME: 4-(1,8-dihydroxy-8-methylnonyl)-2-hydroxy-3-methyl-2H-furan-5-one
SYSTEMATIC NAME: 3-methyl-4-[8-methyl-1,8-bis(oxidanyl)nonyl]-2-oxidanyl-2H-furan-5-one
MOLECULAR FORMULA: C15H26O5
MOLECULAR WEIGHT: 286.36394
SMILES: CC1=C(C(=O)OC1O)C(CCCCCCC(C)(C)O)O
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Product OPENEYE NAME: 3,6-dibenzyl-9-[(2,3-diaminoindolin-3-yl)methyl]-1,4,7-triazonane-2,5,8-trione
CAS Name: 3-[(2,3-diamino-1,2-dihydroindol-3-yl)methyl]-6,9-bis(phenylmethyl)-1,4,7-triazonane-2,5,8-trione
IUPAC NAME: 3,6-dibenzyl-9-[(2,3-diamino-1,2-dihydroindol-3-yl)methyl]-1,4,7-triazonane-2,5,8-trione
SYSTEMATIC NAME: 3-[[2,3-bis(azanyl)-1,2-dihydroindol-3-yl]methyl]-6,9-bis(phenylmethyl)-1,4,7-triazonane-2,5,8-trione
MOLECULAR FORMULA: C29H32N6O3
MOLECULAR WEIGHT: 512.60278
SMILES: C1=CC=C(C=C1)CC2C(=O)NC(C(=O)NC(C(=O)N2)CC3=CC=CC=C3)CC4(C(NC5=CC=CC=C54)N)N
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Product OPENEYE NAME: (E)-5-(4,6-dihydroxy-5,8a-dimethyl-2-methylene-7-oxo-3,4,4a,8-tetrahydro-1H-naphthalen-1-yl)-3-methyl-pent-2-enoic acid
CAS Name: (E)-5-(4,6-dihydroxy-5,8a-dimethyl-2-methylene-7-oxo-3,4,4a,8-tetrahydro-1H-naphthalen-1-yl)-3-methyl-2-pentenoic acid
IUPAC NAME: (E)-5-(4,6-dihydroxy-5,8a-dimethyl-2-methylidene-7-oxo-3,4,4a,8-tetrahydro-1H-naphthalen-1-yl)-3-methylpent-2-enoic acid
SYSTEMATIC NAME: (E)-5-[5,8a-dimethyl-2-methylidene-4,6-bis(oxidanyl)-7-oxidanylidene-3,4,4a,8-tetrahydro-1H-naphthalen-1-yl]-3-methyl-pent-2-enoic acid
MOLECULAR FORMULA: C19H26O5
MOLECULAR WEIGHT: 334.40674
SMILES: CC1=C(C(=O)CC2(C1C(CC(=C)C2CC/C(=C/C(=O)O)/C)O)C)O
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Product OPENEYE NAME: (3R,4S,6S,8S,10R,12R,16S,17E,19E,21E,23E,25E,27S,28R)-3-hexyl-4,6,8,10,12,14,16,27-octahydroxy-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
CAS Name: (3R,4S,6S,8S,10R,12R,16S,17E,19E,21E,23E,25E,27S,28R)-3-hexyl-4,6,8,10,12,14,16,27-octahydroxy-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
IUPAC NAME: (3R,4S,6S,8S,10R,12R,16S,17E,19E,21E,23E,25E,27S,28R)-3-hexyl-4,6,8,10,12,14,16,27-octahydroxy-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
SYSTEMATIC NAME: (3R,4S,6S,8S,10R,12R,16S,17E,19E,21E,23E,25E,27S,28R)-3-hexyl-17,28-dimethyl-4,6,8,10,12,14,16,27-octakis(oxidanyl)-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
MOLECULAR FORMULA: C35H58O10
MOLECULAR WEIGHT: 638.82902
SMILES: CCCCCC[C@@H]1[C@H](C[C@H](C[C@H](C[C@H](C[C@H](CC(C[C@@H](/C(=C/C=C/C=C/C=C/C=C/[C@@H]([C@H](OC1=O)C)O)/C)O)O)O)O)O)O)O
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Product OPENEYE NAME: 4-[3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-12-hydroxy-7-methyl-6-oxo-naphtho[1,2-c]isochromene-10-carboxylic acid
CAS Name: 4-[[3-[(3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-12-hydroxy-7-methyl-6-oxo-10-naphtho[1,2-c][2]benzopyrancarboxylic acid
IUPAC NAME: 4-[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-12-hydroxy-7-methyl-6-oxonaphtho[1,2-c]isochromene-10-carboxylic acid
SYSTEMATIC NAME: 4-[3-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-7-methyl-12-oxidanyl-6-oxidanylidene-naphtho[1,2-c]isochromene-10-carboxylic acid
MOLECULAR FORMULA: C32H34O14
MOLECULAR WEIGHT: 642.60396
SMILES: CC1C(C(C(C(O1)OC2=CC=CC3=C(C=C4C5=C(C=CC(=C5C(=O)OC4=C32)C)C(=O)O)O)OC6C(C(C(C(O6)C)O)OC)O)O)O
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Product OPENEYE NAME: 3-(3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid
CAS Name: 3-(3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl)-2-(4-oxo-3-quinazolinyl)propanoic acid
IUPAC NAME: 3-(3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid
SYSTEMATIC NAME: 3-[2,2-dimethyl-3,4-bis(oxidanyl)-1-oxidanylidene-3aH-imidazo[1,2-a]indol-4-yl]-2-(4-oxidanylidenequinazolin-3-yl)propanoic acid
MOLECULAR FORMULA: C23H22N4O6
MOLECULAR WEIGHT: 450.44398
SMILES: CC1(C(=O)N2C(N1O)C(C3=CC=CC=C32)(CC(C(=O)O)N4C=NC5=CC=CC=C5C4=O)O)C
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Product OPENEYE NAME: (E)-4-[4-[(1E,3E)-hepta-1,3-dienyl]-2-hydroxy-3-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-6-yl]-2-methyl-but-2-enoic acid
CAS Name: (E)-4-[4-[(1E,3E)-hepta-1,3-dienyl]-2-hydroxy-3-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-6-yl]-2-methyl-2-butenoic acid
IUPAC NAME: (E)-4-[4-[(1E,3E)-hepta-1,3-dienyl]-2-hydroxy-3-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-6-yl]-2-methylbut-2-enoic acid
SYSTEMATIC NAME: (E)-4-[4-[(1E,3E)-hepta-1,3-dienyl]-3-(hydroxymethyl)-2-oxidanyl-5-oxidanylidene-7-oxabicyclo[4.1.0]hept-3-en-6-yl]-2-methyl-but-2-enoic acid
MOLECULAR FORMULA: C19H24O6
MOLECULAR WEIGHT: 348.39026
SMILES: CCC/C=C/C=C/C1=C(C(C2C(C1=O)(O2)C/C=C(\C)/C(=O)O)O)CO
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MOLECULAR FORMULA: C21H20O7
MOLECULAR WEIGHT: 384.3793
SMILES: CC12CCCC(O1)C3=C(C4=C(C(=C3O2)OC)OC5=C(C4=O)C(=CC=C5)OC)O
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