Product OPENEYE NAME: 2-hydroxy-3-[3-(1-hydroxy-1-methyl-ethyl)oxiran-2-yl]-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-5-one
CAS Name: 2-hydroxy-3-[3-(2-hydroxypropan-2-yl)-2-oxiranyl]-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-5-one
IUPAC NAME: 2-hydroxy-3-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-5-one
SYSTEMATIC NAME: 6-methyl-2-oxidanyl-3-[3-(2-oxidanylpropan-2-yl)oxiran-2-yl]-7-oxabicyclo[4.1.0]hept-3-en-5-one
MOLECULAR FORMULA: C12H16O5
MOLECULAR WEIGHT: 240.25244
SMILES: CC12C(O1)C(C(=CC2=O)C3C(O3)C(C)(C)O)O
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Product OPENEYE NAME: (E)-3-[6-(3,4-dihydroxy-2-methoxy-6-methyl-benzoyl)oxy-7-hydroxy-7-methyl-8-oxo-5,6-dihydro-1H-isochromen-3-yl]prop-2-enoic acid
CAS Name: (E)-3-[6-[(3,4-dihydroxy-2-methoxy-6-methylphenyl)-oxomethoxy]-7-hydroxy-7-methyl-8-oxo-5,6-dihydro-1H-2-benzopyran-3-yl]-2-propenoic acid
IUPAC NAME: (E)-3-[6-(3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy-7-hydroxy-7-methyl-8-oxo-5,6-dihydro-1H-isochromen-3-yl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[6-[2-methoxy-6-methyl-3,4-bis(oxidanyl)phenyl]carbonyloxy-7-methyl-7-oxidanyl-8-oxidanylidene-5,6-dihydro-1H-isochromen-3-yl]prop-2-enoic acid
MOLECULAR FORMULA: C22H22O10
MOLECULAR WEIGHT: 446.40408
SMILES: CC1=CC(=C(C(=C1C(=O)OC2CC3=C(COC(=C3)/C=C/C(=O)O)C(=O)C2(C)O)OC)O)O
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Product OPENEYE NAME: 6,8-dihydroxy-5-(methoxymethyl)-3,4-dimethyl-1-oxo-isochromane-7-carboxylic acid
CAS Name: 6,8-dihydroxy-5-(methoxymethyl)-3,4-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid
IUPAC NAME: 6,8-dihydroxy-5-(methoxymethyl)-3,4-dimethyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid
SYSTEMATIC NAME: 5-(methoxymethyl)-3,4-dimethyl-6,8-bis(oxidanyl)-1-oxidanylidene-3,4-dihydroisochromene-7-carboxylic acid
MOLECULAR FORMULA: C14H16O7
MOLECULAR WEIGHT: 296.27264
SMILES: CC1C(OC(=O)C2=C1C(=C(C(=C2O)C(=O)O)O)COC)C
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Product OPENEYE NAME: (2E,4E)-6-(3-ethyl-2,8-dihydroxy-4,7,9-trimethyl-5,11-dioxaspiro[5.5]undecan-10-yl)hepta-2,4-dienoic acid
CAS Name: (2E,4E)-6-(3-ethyl-2,8-dihydroxy-4,7,9-trimethyl-5,11-dioxaspiro[5.5]undecan-10-yl)hepta-2,4-dienoic acid
IUPAC NAME: (2E,4E)-6-(3-ethyl-2,8-dihydroxy-4,7,9-trimethyl-5,11-dioxaspiro[5.5]undecan-10-yl)hepta-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-6-[3-ethyl-4,7,9-trimethyl-2,8-bis(oxidanyl)-5,11-dioxaspiro[5.5]undecan-10-yl]hepta-2,4-dienoic acid
MOLECULAR FORMULA: C21H34O6
MOLECULAR WEIGHT: 382.49106
SMILES: CCC1C(OC2(CC1O)C(C(C(C(O2)C(C)/C=C/C=C/C(=O)O)C)O)C)C
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Product OPENEYE NAME: (2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxo-chromen-3-yl)phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
CAS Name: (2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxo-1-benzopyran-3-yl)phenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
IUPAC NAME: (2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-3-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C21H18O11
MOLECULAR WEIGHT: 446.36102
SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
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MOLECULAR FORMULA: C28H36O9
MOLECULAR WEIGHT: 516.58004
SMILES: CC1=C[C@H]2[C@@](CC3[C@@H]4[C@@]2(CC[C@H](C4(C)C)OC(=O)C)C(=O)O3)([C@@]5([C@]1(C(=O)[C@@](C5=O)(C)O)C)C(=O)OC)C
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Product OPENEYE NAME: (3E,5S,7R,8R,11E,13S,15R,16R)-3,5,7,11,13,15-hexamethyl-8,16-bis(oxazol-5-ylmethyl)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
CAS Name: (3E,5S,7R,8R,11E,13S,15R,16R)-3,5,7,11,13,15-hexamethyl-8,16-bis(5-oxazolylmethyl)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
IUPAC NAME: (3E,5S,7R,8R,11E,13S,15R,16R)-3,5,7,11,13,15-hexamethyl-8,16-bis(1,3-oxazol-5-ylmethyl)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
SYSTEMATIC NAME: (3E,5S,7R,8R,11E,13S,15R,16R)-3,5,7,11,13,15-hexamethyl-8,16-bis(1,3-oxazol-5-ylmethyl)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
MOLECULAR FORMULA: C28H38N2O6
MOLECULAR WEIGHT: 498.61112
SMILES: C[C@@H]1/C=C(/C(=O)O[C@@H]([C@@H](C[C@@H](/C=C(/C(=O)O[C@@H]([C@@H](C1)C)CC2=CN=CO2)\C)C)C)CC3=CN=CO3)\C
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Product OPENEYE NAME: N-[4,5-dihydroxy-2-[[4-[hydroxy(phenyl)methyl]-5-oxo-3-phenyl-2H-furan-2-yl]oxy]-6-(methoxymethyl)tetrahydropyran-3-yl]acetamide
CAS Name: N-[4,5-dihydroxy-2-[[4-[hydroxy(phenyl)methyl]-5-oxo-3-phenyl-2H-furan-2-yl]oxy]-6-(methoxymethyl)-3-oxanyl]acetamide
IUPAC NAME: N-[4,5-dihydroxy-2-[[4-[hydroxy(phenyl)methyl]-5-oxo-3-phenyl-2H-furan-2-yl]oxy]-6-(methoxymethyl)oxan-3-yl]acetamide
SYSTEMATIC NAME: N-[6-(methoxymethyl)-4,5-bis(oxidanyl)-2-[[5-oxidanylidene-4-[oxidanyl(phenyl)methyl]-3-phenyl-2H-furan-2-yl]oxy]oxan-3-yl]ethanamide
MOLECULAR FORMULA: C26H29NO9
MOLECULAR WEIGHT: 499.50976
SMILES: CC(=O)NC1C(C(C(OC1OC2C(=C(C(=O)O2)C(C3=CC=CC=C3)O)C4=CC=CC=C4)COC)O)O
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Product OPENEYE NAME: (2S)-2-[(1S)-1-carboxy-11-hydroxy-undecyl]-5-oxo-tetrahydrofuran-2-carboxylic acid
CAS Name: (2S)-2-[(1S)-1-carboxy-11-hydroxyundecyl]-5-oxo-2-oxolanecarboxylic acid
IUPAC NAME: (2S)-2-[(1S)-1-carboxy-11-hydroxyundecyl]-5-oxooxolane-2-carboxylic acid
SYSTEMATIC NAME: (2S)-2-[(2S)-1,12-bis(oxidanyl)-1-oxidanylidene-dodecan-2-yl]-5-oxidanylidene-oxolane-2-carboxylic acid
MOLECULAR FORMULA: C17H28O7
MOLECULAR WEIGHT: 344.40002
SMILES: C1C[C@](OC1=O)([C@H](CCCCCCCCCCO)C(=O)O)C(=O)O
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MOLECULAR FORMULA: C17H24O5
MOLECULAR WEIGHT: 308.36946
SMILES: CC1=C[C@@H]2[C@](CC1O)([C@]3(C[C@H]([C@H](C34CO4)O2)OC(=O)C)C)C
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Product OPENEYE NAME: 1-(4-hydroxy-1,3-dihydroisobenzofuran-5-yl)-3-methyl-butane-2,3-diol
CAS Name: 1-(4-hydroxy-1,3-dihydroisobenzofuran-5-yl)-3-methylbutane-2,3-diol
IUPAC NAME: 1-(4-hydroxy-1,3-dihydro-2-benzofuran-5-yl)-3-methylbutane-2,3-diol
SYSTEMATIC NAME: 3-methyl-1-(4-oxidanyl-1,3-dihydro-2-benzofuran-5-yl)butane-2,3-diol
MOLECULAR FORMULA: C13H18O4
MOLECULAR WEIGHT: 238.27962
SMILES: CC(C)(C(CC1=C(C2=C(COC2)C=C1)O)O)O
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Product OPENEYE NAME: methyl (4aR,4bR,10aR,12aS)-6,10-dihydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-9,10,10b,11-tetrahydronaphtho[2,1-f]isochromene-4a-carboxylate
CAS Name: (4aR,4bR,10aR,12aS)-6,10-dihydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-9,10,10b,11-tetrahydronaphtho[2,1-f][2]benzopyran-4a-carboxylic acid methyl ester
IUPAC NAME: methyl (4aR,4bR,10aR,12aS)-6,10-dihydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,8-tetraoxo-9,10,10b,11-tetrahydronaphtho[2,1-f]isochromene-4a-carboxylate
SYSTEMATIC NAME: methyl (4aR,4bR,10aR,12aS)-3,4b,7,7,10a,12a-hexamethyl-12-methylidene-6,10-bis(oxidanyl)-1,4,5,8-tetrakis(oxidanylidene)-9,10,10b,11-tetrahydronaphtho[2,1-f]isochromene-4a-carboxylate
MOLECULAR FORMULA: C26H32O9
MOLECULAR WEIGHT: 488.52688
SMILES: CC1C(=O)[C@]2([C@]3(C(CC(=C)[C@@]2(C(=O)O1)C)[C@]4(C(CC(=O)C(C4=C(C3=O)O)(C)C)O)C)C)C(=O)OC
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MOLECULAR FORMULA: C21H28O5
MOLECULAR WEIGHT: 360.44402
SMILES: CC1=CC(=O)C2=C(O1)OC3(CCC4C(C(CC(=O)C4(C3C2)C)O)(C)C)C
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Product OPENEYE NAME: N-[2-[(4-benzyl-5-oxo-3-phenyl-2H-furan-2-yl)oxy]-4,5-dihydroxy-6-(methoxymethyl)tetrahydropyran-3-yl]acetamide
CAS Name: N-[4,5-dihydroxy-6-(methoxymethyl)-2-[[5-oxo-3-phenyl-4-(phenylmethyl)-2H-furan-2-yl]oxy]-3-oxanyl]acetamide
IUPAC NAME: N-[2-[(4-benzyl-5-oxo-3-phenyl-2H-furan-2-yl)oxy]-4,5-dihydroxy-6-(methoxymethyl)oxan-3-yl]acetamide
SYSTEMATIC NAME: N-[6-(methoxymethyl)-4,5-bis(oxidanyl)-2-[[5-oxidanylidene-3-phenyl-4-(phenylmethyl)-2H-furan-2-yl]oxy]oxan-3-yl]ethanamide
MOLECULAR FORMULA: C26H29NO8
MOLECULAR WEIGHT: 483.51036
SMILES: CC(=O)NC1C(C(C(OC1OC2C(=C(C(=O)O2)CC3=CC=CC=C3)C4=CC=CC=C4)COC)O)O
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MOLECULAR FORMULA: C31H30N6O6S4
MOLECULAR WEIGHT: 710.8665
SMILES: CN1C(=O)[C@@]23CC4([C@@H](N2C(=O)C1(SS3)CO)NC5=CC=CC=C54)N6C=C(C7=CC=CC=C76)CC89C(=O)N(C(C(=O)N8C)(SS9)CO)C
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Product OPENEYE NAME: (5R,5aS,8S,9aS)-5,8,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydrobenzo[g]isobenzofuran-1-one
CAS Name: (5R,5aS,8S,9aS)-5,8,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydrobenzo[g]isobenzofuran-1-one
IUPAC NAME: (5R,5aS,8S,9aS)-5,8,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydrobenzo[g][2]benzofuran-1-one
SYSTEMATIC NAME: (5R,5aS,8S,9aS)-6,6,9a-trimethyl-5,8,9b-tris(oxidanyl)-3,5,5a,7,8,9-hexahydrobenzo[g][2]benzofuran-1-one
MOLECULAR FORMULA: C15H22O5
MOLECULAR WEIGHT: 282.33218
SMILES: C[C@]12C[C@H](CC([C@@H]1[C@@H](C=C3C2(C(=O)OC3)O)O)(C)C)O
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MOLECULAR FORMULA: C24H35NO5
MOLECULAR WEIGHT: 417.5384
SMILES: CC1=CC(C2/C=C/CCC3C(O3)(C(CC(=O)C24C1C(NC4=O)CC(C)C)OC)C)O
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Product OPENEYE NAME: 3-(13-isopropyl-10,11,14,20-tetramethyl-2,5,9,12,15,18-hexaoxo-16-sec-butyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl)-2-methyl-propanoic acid
CAS Name: 3-(16-butan-2-yl-10,11,14,20-tetramethyl-2,5,9,12,15,18-hexaoxo-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl)-2-methylpropanoic acid
IUPAC NAME: 3-(16-butan-2-yl-10,11,14,20-tetramethyl-2,5,9,12,15,18-hexaoxo-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl)-2-methylpropanoic acid
SYSTEMATIC NAME: 3-[16-butan-2-yl-10,11,14,20-tetramethyl-2,5,9,12,15,18-hexakis(oxidanylidene)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl]-2-methyl-propanoic acid
MOLECULAR FORMULA: C31H51N5O9
MOLECULAR WEIGHT: 637.76474
SMILES: CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCC(C2C(=O)N1)C)CC(C)C(=O)O)C)C)C(C)C)C
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Product OPENEYE NAME: 3-(4-hydroxy-2-methyl-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid
CAS Name: 3-(4-hydroxy-2-methyl-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl)-2-(4-oxo-3-quinazolinyl)propanoic acid
IUPAC NAME: 3-(4-hydroxy-2-methyl-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid
SYSTEMATIC NAME: 3-(2-methyl-4-oxidanyl-1-oxidanylidene-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl)-2-(4-oxidanylidenequinazolin-3-yl)propanoic acid
MOLECULAR FORMULA: C22H20N4O5
MOLECULAR WEIGHT: 420.418
SMILES: CC1C(=O)N2C(N1)C(C3=CC=CC=C32)(CC(C(=O)O)N4C=NC5=CC=CC=C5C4=O)O
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MOLECULAR FORMULA: C25H28O13
MOLECULAR WEIGHT: 536.48202
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=CC3=C2C(=O)C4(C(CC56CC(CC(=O)C5(C4(C3=O)O)O6)(C)O)O)O)O)O)O
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Product OPENEYE NAME: 2-hydroxy-2-[3-hydroxy-4-(hydroxymethyl)-2-octyl-5-oxo-tetrahydrofuran-3-yl]acetic acid
CAS Name: 2-hydroxy-2-[3-hydroxy-4-(hydroxymethyl)-2-octyl-5-oxo-3-oxolanyl]acetic acid
IUPAC NAME: 2-hydroxy-2-[3-hydroxy-4-(hydroxymethyl)-2-octyl-5-oxooxolan-3-yl]acetic acid
SYSTEMATIC NAME: 2-[4-(hydroxymethyl)-2-octyl-3-oxidanyl-5-oxidanylidene-oxolan-3-yl]-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C15H26O7
MOLECULAR WEIGHT: 318.36274
SMILES: CCCCCCCCC1C(C(C(=O)O1)CO)(C(C(=O)O)O)O
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Product OPENEYE NAME: 2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)-2-octyl-5-oxo-tetrahydrofuran-3-yl]acetic acid
CAS Name: 2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)-2-octyl-5-oxo-3-oxolanyl]acetic acid
IUPAC NAME: 2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)-2-octyl-5-oxooxolan-3-yl]acetic acid
SYSTEMATIC NAME: 2-[4-(methoxymethyl)-2-octyl-3-oxidanyl-5-oxidanylidene-oxolan-3-yl]-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C16H28O7
MOLECULAR WEIGHT: 332.38932
SMILES: CCCCCCCCC1C(C(C(=O)O1)COC)(C(C(=O)O)O)O
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