Tuesday, November 29, 2011

http://ChemLookup.com Compounds




CAS RN: 1005-02-3
CAS Name: N'-amino-2-pyridinecarboximidamide
OPENEYE Name: N'-aminopyridine-2-carboxamidine
IUPAC Name: N'-aminopyridine-2-carboximidamide
SYSTEMATIC NAME: N'-azanylpyridine-2-carboximidamide
MOLECULAR FORMULA: C6H8N4
MOLECULAR WEIGHT: 136.15452
SMILES: C1=CC=NC(=C1)/C(=N\N)/N
Structure:

CAS RN: 53612-72-9
CAS Name: N'-amino-2-pyridinecarboximidamide
OPENEYE Name: N'-aminopyridine-2-carboxamidine
IUPAC Name: N'-aminopyridine-2-carboximidamide
SYSTEMATIC NAME: N'-azanylpyridine-2-carboximidamide
MOLECULAR FORMULA: C6H8N4
MOLECULAR WEIGHT: 136.15452
SMILES: C1=CC=NC(=C1)/C(=N\N)/N
Structure:

CAS RN: 73287-61-3
CAS Name: (3Z)-5-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-3-[(4-methyl-2-sulfophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
OPENEYE Name: (3Z)-5-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-3-[(4-methyl-2-sulfo-phenyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid
IUPAC Name: (3Z)-5-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-3-[(4-methyl-2-sulfophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: (3Z)-5-[[4-chloranyl-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl]amino]-3-[(4-methyl-2-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C27H22ClN7O10S3
MOLECULAR WEIGHT: 736.15248
SMILES: CC1=CC(=C(C=C1)N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)NC4=NC(=NC(=N4)Cl)N(C)C5=CC=CC=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
Structure:

CAS RN: 13639-54-8
CAS Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[ethoxy(sulfanylidene)methyl]thio]-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-ethoxycarbothioylsulfanyl-tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-ethoxycarbothioylsulfanyloxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-ethoxycarbothioylsulfanyl-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C17H24O10S2
MOLECULAR WEIGHT: 452.49646
SMILES: CCOC(=S)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:

CAS RN: 201341-05-1
CAS Name: carbonic acid [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[oxo(propan-2-yloxy)methoxy]methoxy]phosphoryl]oxymethyl propan-2-yl ester
OPENEYE Name: [[(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-(isopropoxycarbonyloxymethoxy)phosphoryl]oxymethyl isopropyl carbonate
IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
SYSTEMATIC NAME: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
MOLECULAR FORMULA: C19H30N5O10P
MOLECULAR WEIGHT: 519.442761
SMILES: C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C
Structure:

CAS RN: 120728-89-4
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-N-[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-guanidino-pentanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]-N-[(1S)-3-amino-1-[[(1S)-2-[(2S)-2-[[(1S)-1-[[(1S)-1-carbamoyl-2-methyl-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]pyrrolidin-1-yl]-1-[(4-
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-N-[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]-N-[(2S)-4-azanyl-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxid
MOLECULAR FORMULA: C47H75N15O14
MOLECULAR WEIGHT: 1074.1905
SMILES: C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C
Structure:

CAS RN: 28575-34-0
CAS Name: (3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-6-methyl-1-oxoheptyl]amino]-1-oxopropyl]amino]-3-hydroxy-6-methylheptanoic acid
OPENEYE Name: (3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-6-methyl-heptanoyl]amino]propanoyl]amino]-3-hydroxy-6-methyl-heptanoic acid
IUPAC Name: (3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoyl]amino]-3-hydroxy-6-methylheptanoic acid
SYSTEMATIC NAME: (3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-6-methyl-3-oxidanyl-heptanoyl]amino]propanoyl]amino]-6-methyl-3-oxidanyl-heptanoic acid
MOLECULAR FORMULA: C31H57N5O9
MOLECULAR WEIGHT: 643.81238
SMILES: C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)O)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C)O
Structure:

CAS RN: 165453-97-4
CAS Name: N-[(2S,3S,5R)-3-hydroxy-6-[[(2S)-3-methyl-1-[[(2S)-1-(4-morpholinyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxo-1-phenyl-5-[(2,3,4-trimethoxyphenyl)methyl]hexan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(1S,2S,4R)-1-benzyl-5-[[(1S)-1-[[(1S)-1-benzyl-2-morpholino-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-hydroxy-5-oxo-4-[(2,3,4-trimethoxyphenyl)methyl]pentyl]carbamate
IUPAC Name: tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(2S)-3-methyl-1-[[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxo-1-phenyl-5-[(2,3,4-trimethoxyphenyl)methyl]hexan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S,3S,5R)-6-[[(2S)-3-methyl-1-[[(2S)-1-morpholin-4-yl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-[(2,3,4-trimethoxyphenyl)methyl]hexan-2-yl]carbamate
MOLECULAR FORMULA: C45H62N4O10
MOLECULAR WEIGHT: 818.99458
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCOCC2)NC(=O)[C@H](CC3=C(C(=C(C=C3)OC)OC)OC)C[C@@H]([C@H](CC4=CC=CC=C4)NC(=O)OC(C)(C)C)O
Structure:

CAS RN: 181038-54-0
CAS Name: N-[(2S,3S,5R)-5-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-6-[[(2S)-3-methyl-1-[[(2S)-1-(4-morpholinyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(1S,2S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-5-[[(1S)-1-[[(1S)-1-benzyl-2-morpholino-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-hydroxy-5-oxo-pentyl]carbamate
IUPAC Name: tert-butyl N-[(2S,3S,5R)-5-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-6-[[(2S)-3-methyl-1-[[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S,3S,5R)-5-(1,3-benzodioxol-5-ylmethyl)-6-[[(2S)-3-methyl-1-[[(2S)-1-morpholin-4-yl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-hexan-2-yl]carbamate
MOLECULAR FORMULA: C43H56N4O9
MOLECULAR WEIGHT: 772.92614
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCOCC2)NC(=O)[C@H](CC3=CC4=C(C=C3)OCO4)C[C@@H]([C@H](CC5=CC=CC=C5)NC(=O)OC(C)(C)C)O
Structure:

CAS RN: 181038-25-5
CAS Name: N-[(2S,3S,5R)-6-[[(2S)-1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxo-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(1S,2S,4R)-1,4-dibenzyl-5-[[(1S)-1-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-propyl]amino]-2-hydroxy-5-oxo-pentyl]carbamate
IUPAC Name: tert-butyl N-[(2S,3S,5R)-5-benzyl-6-[[(2S)-1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S,3S,5R)-6-[[(2S)-1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate
MOLECULAR FORMULA: C33H50N4O5
MOLECULAR WEIGHT: 582.7739
SMILES: CC(C)[C@@H](C(=O)NCCN(C)C)NC(=O)[C@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O
Structure:

CAS RN: 178047-79-5
CAS Name: N-[(2S,3S,5R)-3-hydroxy-6-[[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-6-oxo-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(1S,2S,4R)-1,4-dibenzyl-2-hydroxy-5-[[(1S)-1-(2-methoxyethylcarbamoyl)-2-methyl-propyl]amino]-5-oxo-pentyl]carbamate
IUPAC Name: tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-[[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S,3S,5R)-6-[[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate
MOLECULAR FORMULA: C32H47N3O6
MOLECULAR WEIGHT: 569.73208
SMILES: CC(C)[C@@H](C(=O)NCCOC)NC(=O)[C@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O
Structure:

CAS RN: 51094-17-8
CAS Name: 4-[(10Z,14Z)-10,15-bis(4-hydroxyphenyl)-20-(4-oxo-1-cyclohexa-2,5-dienylidene)-21,22,23,24-tetrahydroporphyrin-5-ylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[(10Z,14Z)-10,15-bis(4-hydroxyphenyl)-20-(4-oxocyclohexa-2,5-dien-1-ylidene)-21,22,23,24-tetrahydroporphyrin-5-ylidene]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[(10Z,14Z)-10,15-bis(4-hydroxyphenyl)-20-(4-oxocyclohexa-2,5-dien-1-ylidene)-21,22,23,24-tetrahydroporphyrin-5-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[(10Z,14Z)-10,15-bis(4-hydroxyphenyl)-20-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-21,22,23,24-tetrahydroporphyrin-5-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C44H30N4O4
MOLECULAR WEIGHT: 678.7334
SMILES: C1=CC(=O)C=CC1=C2C3=CC=C(N3)/C(=C/4\N/C(=C(\C5=CC=C(N5)C(=C6C=CC(=O)C=C6)C7=CC=C2N7)/C8=CC=C(C=C8)O)/C=C4)/C9=CC=C(C=C9)O
Structure:

CAS RN: 25186-28-1
CAS Name: (6Z)-6-[(10Z,14Z,20E)-10,15-bis(2-hydroxyphenyl)-20-(6-oxo-1-cyclohexa-2,4-dienylidene)-21,22,23,24-tetrahydroporphyrin-5-ylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[(10Z,14Z,20E)-10,15-bis(2-hydroxyphenyl)-20-(6-oxocyclohexa-2,4-dien-1-ylidene)-21,22,23,24-tetrahydroporphyrin-5-ylidene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[(10Z,14Z,20E)-10,15-bis(2-hydroxyphenyl)-20-(6-oxocyclohexa-2,4-dien-1-ylidene)-21,22,23,24-tetrahydroporphyrin-5-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[(10Z,14Z,20E)-10,15-bis(2-hydroxyphenyl)-20-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-21,22,23,24-tetrahydroporphyrin-5-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C44H30N4O4
MOLECULAR WEIGHT: 678.7334
SMILES: C1=CC=C(C(=C1)/C/2=C/3\C=C/C(=C(/C4=CC=C(N4)/C(=C\5/C=CC=CC5=O)/C6=CC=C(N6)/C(=C\7/C=CC=CC7=O)/C8=CC=C2N8)\C9=CC=CC=C9O)/N3)O
Structure:

CAS RN: 204907-85-7
CAS Name: N-[(2S)-1-[[(2S)-1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-1-oxo-2-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]butyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) est
OPENEYE Name: benzyl N-[(1S)-2-[[(1S)-1-[[(1S,2R,3R,4S)-1-benzyl-4-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-2,3-dihydroxy-5-phenyl-pentyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[(2S)-1-[[(2S)-1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-1-[[(2S)-3-methyl-1-[[(2S,3R,4R,5S)-5-[[(2S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2
MOLECULAR FORMULA: C50H64N6O10
MOLECULAR WEIGHT: 909.07736
SMILES: C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCC3=CC=CC=C3)O)O)NC(=O)OCC4=CC=CC=C4
Structure:

CAS RN: 146132-95-8
CAS Name: 3,5,7-trihydroxy-2-(3,4,5-trimethoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 3,5,7-trihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
IUPAC Name: 3,5,7-trihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3,5,7-tris(oxidanyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one
MOLECULAR FORMULA: C18H16O8
MOLECULAR WEIGHT: 360.31484
SMILES: COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Structure:

CAS RN: 26931-72-6
CAS Name: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-7-[(3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chromen-4-one
MOLECULAR FORMULA: C27H30O15
MOLECULAR WEIGHT: 594.5181
SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)COC5[C@@H]([C@H]([C@H](CO5)O)O)O)O)O)O)O)O
Structure:

CAS RN: 99119-69-4
CAS Name: 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2R)-5-methyl-2-(1-methylethenyl)hex-4-enyl]-1-benzopyran-4-one
OPENEYE Name: 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2R)-2-isopropenyl-5-methyl-hex-4-enyl]chromen-4-one
IUPAC Name: 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]chromen-4-one
SYSTEMATIC NAME: 2-[2,4-bis(oxidanyl)phenyl]-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-3,5,7-tris(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C25H26O7
MOLECULAR WEIGHT: 438.46974
SMILES: CC(=CC[C@H](CC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=C(C=C(C=C3)O)O)O)O)C(=C)C)C
Structure:

CAS RN: 100462-54-2
CAS Name: 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-1-benzopyran-6-yl)-6-(3-methylbut-2-enyl)-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-chromen-6-yl)-6-(3-methylbut-2-enyl)chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-methylbut-2-enyl)chromen-4-one
SYSTEMATIC NAME: 3-(2,2-dimethyl-5-oxidanyl-chromen-6-yl)-6-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C25H24O6
MOLECULAR WEIGHT: 420.45446
SMILES: CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=C(C4=C(C=C3)OC(C=C4)(C)C)O)O)C
Structure:

CAS RN: 66056-30-2
CAS Name: 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-1-benzopyran-6-yl)-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-chromen-6-yl)chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
SYSTEMATIC NAME: 3-(2,2-dimethyl-5-oxidanyl-chromen-6-yl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C20H16O6
MOLECULAR WEIGHT: 352.33744
SMILES: CC1(C=CC2=C(O1)C=CC(=C2O)C3=COC4=CC(=CC(=C4C3=O)O)O)C
Structure:

CAS RN: 140447-85-4
CAS Name: 5,7-dihydroxy-3-(8-hydroxy-7-methoxy-2,2-dimethyl-1-benzopyran-5-yl)-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-(8-hydroxy-7-methoxy-2,2-dimethyl-chromen-5-yl)chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-(8-hydroxy-7-methoxy-2,2-dimethylchromen-5-yl)chromen-4-one
SYSTEMATIC NAME: 3-(7-methoxy-2,2-dimethyl-8-oxidanyl-chromen-5-yl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C21H18O7
MOLECULAR WEIGHT: 382.36342
SMILES: CC1(C=CC2=C(O1)C(=C(C=C2C3=COC4=CC(=CC(=C4C3=O)O)O)OC)O)C
Structure:

CAS RN: 80801-26-9
CAS Name: (2S)-2-[[(E)-2-[[(2S)-2-[[[(3S)-2-[(2S,3S)-3-amino-2-[[(2S)-2-[[2-amino-3-hydroxy-2-(hydroxymethyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxobutyl]-4,5-dihydro-3H-pyridazin-3-yl]-oxomethyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxopent-2-enyl]amino]-3-hyd
OPENEYE Name: (2S)-2-[[(E)-2-[[(2S)-2-[[(3S)-2-[(2S,3S)-3-amino-2-[[(2S)-2-[[2-amino-3-hydroxy-2-(hydroxymethyl)propanoyl]amino]propanoyl]amino]butanoyl]-4,5-dihydro-3H-pyridazine-3-carbonyl]amino]propanoyl]amino]-3-methyl-pent-2-enoyl]amino]-3-hydroxy-propanoic acid
IUPAC Name: (2S)-2-[[(E)-2-[[(2S)-2-[[(3S)-2-[(2S,3S)-3-amino-2-[[(2S)-2-[[2-amino-3-hydroxy-2-(hydroxymethyl)propanoyl]amino]propanoyl]amino]butanoyl]-4,5-dihydro-3H-pyridazine-3-carbonyl]amino]propanoyl]amino]-3-methylpent-2-enoyl]amino]-3-hydroxypropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(E)-2-[[(2S)-2-[[(3S)-2-[(2S,3S)-3-azanyl-2-[[(2S)-2-[[2-azanyl-2-(hydroxymethyl)-3-oxidanyl-propanoyl]amino]propanoyl]amino]butanoyl]-4,5-dihydro-3H-pyridazin-3-yl]carbonylamino]propanoyl]amino]-3-methyl-pent-2-enoyl]amino]-3-oxidanyl-propanoic
MOLECULAR FORMULA: C28H47N9O11
MOLECULAR WEIGHT: 685.72648
SMILES: CC/C(=C(\C(=O)N[C@@H](CO)C(=O)O)/NC(=O)[C@H](C)NC(=O)[C@@H]1CCC=NN1C(=O)[C@H]([C@H](C)N)NC(=O)[C@H](C)NC(=O)C(CO)(CO)N)/C
Structure:

CAS RN: 22255-13-6
CAS Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3-[(2S,3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-chromen-4-one
MOLECULAR FORMULA: C20H18O11
MOLECULAR WEIGHT: 434.35032
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
Structure:

CAS RN: 81967-70-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H28O28
MOLECULAR WEIGHT: 968.64422
SMILES: C1[C@@H]2[C@@H]3[C@@H](C([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@@H]7C(=CC(=O)[C@@](C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C9=C8[C@@H]2C(=CC(=O)[C@@](C2(O)O)(O9)O)C(=O)O1)O)O
Structure:

CAS RN: 135330-13-1
CAS Name: 4-hydroxy-3-(3-nitroanilino)naphthalene-1,2-dione
OPENEYE Name: 4-hydroxy-3-(3-nitroanilino)naphthalene-1,2-dione
IUPAC Name: 4-hydroxy-3-(3-nitroanilino)naphthalene-1,2-dione
SYSTEMATIC NAME: 3-[(3-nitrophenyl)amino]-4-oxidanyl-naphthalene-1,2-dione
MOLECULAR FORMULA: C16H10N2O5
MOLECULAR WEIGHT: 310.261
SMILES: C1=CC=C2C(=C1)C(=C(C(=O)C2=O)NC3=CC(=CC=C3)[N+](=O)[O-])O
Structure:

CAS RN: 213982-96-8
CAS Name: (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-bromo-6-methoxy-5-methyl-2,4-dioxo-1,3-diazinan-1-yl)-2-oxolanyl]methoxy-(4-bromophenoxy)phosphoryl]amino]propanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-bromo-6-methoxy-5-methyl-2,4-dioxo-hexahydropyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-(4-bromophenoxy)phosphoryl]amino]propanoate
IUPAC Name: methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-bromo-6-methoxy-5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy-(4-bromophenoxy)phosphoryl]amino]propanoate
SYSTEMATIC NAME: methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-[5-bromanyl-6-methoxy-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]oxolan-2-yl]methoxy-(4-bromanylphenoxy)phosphoryl]amino]propanoate
MOLECULAR FORMULA: C21H27Br2N6O9P
MOLECULAR WEIGHT: 698.255641
SMILES: C[C@@H](C(=O)OC)NP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C(C(C(=O)NC2=O)(C)Br)OC)N=[N+]=[N-])OC3=CC=C(C=C3)Br
Structure:

CAS RN: 166403-66-3
CAS Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
OPENEYE Name: [(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid
IUPAC Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
SYSTEMATIC NAME: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid
MOLECULAR FORMULA: C9H16N5O10P3
MOLECULAR WEIGHT: 447.172123
SMILES: C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O
Structure:

CAS RN: 72558-82-8
CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(2-carboxypropan-2-yloxyimino)-1-oxoethyl]amino]-8-oxo-3-(1-pyridin-1-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
OPENEYE Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(1-carboxy-1-methyl-ethoxy)imino-acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C22H22N6O7S2
MOLECULAR WEIGHT: 546.57608
SMILES: CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-]
Structure:

CAS RN: 210890-96-3
CAS Name: (2E)-2-[2-(3,5-dihydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-8-hydroxy-1H-quinoline-7-carboxylic acid
OPENEYE Name: (2E)-2-[2-(3,5-dihydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylidene]-8-hydroxy-1H-quinoline-7-carboxylic acid
IUPAC Name: (2E)-2-[2-(3,5-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-8-hydroxy-1H-quinoline-7-carboxylic acid
SYSTEMATIC NAME: (2E)-2-[2-[3,5-bis(oxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]ethylidene]-8-oxidanyl-1H-quinoline-7-carboxylic acid
MOLECULAR FORMULA: C18H13NO6
MOLECULAR WEIGHT: 339.29892
SMILES: C1=C/C(=C\C=C2C=C(C(=O)C(=C2)O)O)/NC3=C1C=CC(=C3O)C(=O)O
Structure:

CAS RN: 210890-94-1
CAS Name: (2E)-8-hydroxy-2-[(2E)-2-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-1H-quinoline-7-carboxylic acid
OPENEYE Name: (2E)-8-hydroxy-2-[(2E)-2-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylidene]-1H-quinoline-7-carboxylic acid
IUPAC Name: (2E)-8-hydroxy-2-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-1H-quinoline-7-carboxylic acid
SYSTEMATIC NAME: (2E)-8-oxidanyl-2-[(2E)-2-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-1H-quinoline-7-carboxylic acid
MOLECULAR FORMULA: C18H13NO5
MOLECULAR WEIGHT: 323.29952
SMILES: C1=C/C(=C\C=C\2/C=CC(=O)C(=C2)O)/NC3=C1C=CC(=C3O)C(=O)O
Structure:

CAS RN: 210890-93-0
CAS Name: (2E)-8-hydroxy-2-[(2E)-2-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-1H-quinoline-7-carboxylic acid
OPENEYE Name: (2E)-8-hydroxy-2-[(2E)-2-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylidene]-1H-quinoline-7-carboxylic acid
IUPAC Name: (2E)-8-hydroxy-2-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-1H-quinoline-7-carboxylic acid
SYSTEMATIC NAME: (2E)-8-oxidanyl-2-[(2E)-2-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-1H-quinoline-7-carboxylic acid
MOLECULAR FORMULA: C18H13NO5
MOLECULAR WEIGHT: 323.29952
SMILES: C1=C/C(=C\C=C\2/C=CC(=O)C(=C2)O)/NC3=C1C=CC(=C3O)C(=O)O
Structure:

CAS RN: 217178-62-6
CAS Name: (2S)-2-[[(4-bromophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-[[(4-bromophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate
IUPAC Name: methyl (2S)-2-[[(4-bromophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate
SYSTEMATIC NAME: methyl (2S)-2-[[(4-bromanylphenoxy)-[[(2S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate
MOLECULAR FORMULA: C20H23BrN3O8P
MOLECULAR WEIGHT: 544.289681
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(N[C@@H](C)C(=O)OC)OC3=CC=C(C=C3)Br
Structure:

CAS RN: 155669-72-0
CAS Name: 2-chloro-3-hydrazinylnaphthalene-1,4-dione
OPENEYE Name: 2-chloro-3-hydrazino-naphthalene-1,4-dione
IUPAC Name: 2-chloro-3-hydrazinylnaphthalene-1,4-dione
SYSTEMATIC NAME: 2-chloranyl-3-diazanyl-naphthalene-1,4-dione
MOLECULAR FORMULA: C10H7ClN2O2
MOLECULAR WEIGHT: 222.62778
SMILES: C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NN
Structure:

CAS RN: 148550-96-3
CAS Name: 5-methoxy-1-oxo-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
OPENEYE Name: 3-isopropoxy-5-methoxy-1-oxo-benzothiophene-2-carboxamide
IUPAC Name: 5-methoxy-1-oxo-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: 5-methoxy-1-oxidanylidene-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C13H15NO4S
MOLECULAR WEIGHT: 281.3275
SMILES: CC(C)OC1=C(S(=O)C2=C1C=C(C=C2)OC)C(=O)N
Structure:

CAS RN: 26359-43-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H34N4O3
MOLECULAR WEIGHT: 534.64806
SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)C(=O)C5)CCC(=O)O)C)C)CC)C
Structure:

CAS RN: 134458-78-9
CAS Name: (2R,3R,4R,5S)-5-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-6-cyclohexyl-3,4-dihydroxy-N-[(2S,3S)-3-methyl-1-oxo-1-(2-pyridinylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
OPENEYE Name: (2R,3R,4R,5S)-5-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-6-cyclohexyl-3,4-dihydroxy-2-isopropyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]hexanamide
IUPAC Name: (2R,3R,4R,5S)-5-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-6-cyclohexyl-3,4-dihydroxy-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
SYSTEMATIC NAME: (2R,3R,4R,5S)-5-[[(2S)-2-(2-azanylethanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-6-cyclohexyl-N-[(2S,3S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)pentan-2-yl]-3,4-bis(oxidanyl)-2-propan-2-yl-hexanamide
MOLECULAR FORMULA: C35H56N8O6
MOLECULAR WEIGHT: 684.86914
SMILES: CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@@H]([C@H]([C@@H]([C@H](CC2CCCCC2)NC(=O)[C@H](CC3=CN=CN3)NC(=O)CN)O)O)C(C)C
Structure:

CAS RN: 134458-76-7
CAS Name: (2R,3R,4R,5S)-6-cyclohexyl-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]propyl]amino]-N-[(2S,3S)-3-methyl-1-oxo-1-(2-pyridinylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
OPENEYE Name: (2R,3R,4R,5S)-6-cyclohexyl-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-phenoxyacetyl)amino]propanoyl]amino]-2-isopropyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]hexanamide
IUPAC Name: (2R,3R,4R,5S)-6-cyclohexyl-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-phenoxyacetyl)amino]propanoyl]amino]-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
SYSTEMATIC NAME: (2R,3R,4R,5S)-6-cyclohexyl-5-[[(2S)-3-(1H-imidazol-5-yl)-2-(2-phenoxyethanoylamino)propanoyl]amino]-N-[(2S,3S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)pentan-2-yl]-3,4-bis(oxidanyl)-2-propan-2-yl-hexanamide
MOLECULAR FORMULA: C41H59N7O7
MOLECULAR WEIGHT: 761.94986
SMILES: CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@@H]([C@H]([C@@H]([C@H](CC2CCCCC2)NC(=O)[C@H](CC3=CN=CN3)NC(=O)COC4=CC=CC=C4)O)O)C(C)C
Structure:

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