CAS RN: 95933-72-5
CAS Name: (4E)-4-[amino-(hydroxyamino)methylidene]-2-hydroxy-1-cyclohexa-2,5-dienone
OPENEYE Name: (4E)-4-[amino-(hydroxyamino)methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one
IUPAC Name: (4E)-4-[amino-(hydroxyamino)methylidene]-2-hydroxycyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: (4E)-4-[azanyl-(oxidanylamino)methylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C7H8N2O3
MOLECULAR WEIGHT: 168.15002
SMILES: C\1=CC(=O)C(=C/C1=C(\N)/NO)O
Structure:
CAS RN: 125199-74-8
CAS Name: (4E)-4-[amino-(hydroxyamino)methylidene]-2-hydroxy-1-cyclohexa-2,5-dienone
OPENEYE Name: (4E)-4-[amino-(hydroxyamino)methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one
IUPAC Name: (4E)-4-[amino-(hydroxyamino)methylidene]-2-hydroxycyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: (4E)-4-[azanyl-(oxidanylamino)methylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C7H8N2O3
MOLECULAR WEIGHT: 168.15002
SMILES: C\1=CC(=O)C(=C/C1=C(\N)/NO)O
Structure:
CAS RN: 21511-25-1
CAS Name: 3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 3,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one
IUPAC Name: 3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 2-(3-methoxy-4-oxidanyl-phenyl)-3,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C16H12O6
MOLECULAR WEIGHT: 300.26288
SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O
Structure:
CAS RN: 131086-98-1
CAS Name: 3,4,8,9-tetrahydroxy-6-benzo[c][1]benzopyranone
OPENEYE Name: 3,4,8,9-tetrahydroxybenzo[c]chromen-6-one
IUPAC Name: 3,4,8,9-tetrahydroxybenzo[c]chromen-6-one
SYSTEMATIC NAME: 3,4,8,9-tetrakis(oxidanyl)benzo[c]chromen-6-one
MOLECULAR FORMULA: C13H8O6
MOLECULAR WEIGHT: 260.19902
SMILES: C1=CC(=C(C2=C1C3=CC(=C(C=C3C(=O)O2)O)O)O)O
Structure:
CAS RN: 27703-98-6
CAS Name: (6E)-4-chloro-6-[[[4-[[(E)-(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]-1-phthalazinyl]hydrazo]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6E)-4-chloro-6-[[2-[4-[2-[(E)-(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]phthalazin-1-yl]hydrazino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-4-chloro-6-[[2-[4-[2-[(E)-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]phthalazin-1-yl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-4-chloranyl-6-[[2-[4-[2-[(E)-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]phthalazin-1-yl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C22H16Cl2N6O2
MOLECULAR WEIGHT: 467.30744
SMILES: C1=CC=C2C(=NN=C(C2=C1)NN/C=C\3/C(=O)C=CC(=C3)Cl)NN/C=C\4/C(=O)C=CC(=C4)Cl
Structure:
CAS RN: 6634-98-6
CAS Name: (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; trichlorostibine
OPENEYE Name: (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; trichlorostibane
IUPAC Name: (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; trichlorostibane
SYSTEMATIC NAME: (2Z,4S,4aS,5aS,6S,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-6,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; tris(chloranyl)stibane
MOLECULAR FORMULA: C22H24Cl3N2O8Sb
MOLECULAR WEIGHT: 672.55356
SMILES: C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.Cl[Sb](Cl)Cl
Structure:
CAS RN: 160729-91-9
CAS Name: (2S)-N-tert-butyl-4-(5-furo[2,3-b]pyridinylmethyl)-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(phenylmethyl)pentyl]-2-piperazinecarboxamide
OPENEYE Name: (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]-N-tert-butyl-4-(furo[2,3-b]pyridin-5-ylmethyl)piperazine-2-carboxamide
IUPAC Name: (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(furo[2,3-b]pyridin-5-ylmethyl)piperazine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-tert-butyl-4-(furo[2,3-b]pyridin-5-ylmethyl)-1-[(2S,4R)-2-oxidanyl-5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-4-(phenylmethyl)pentyl]piperazine-2-carboxamide
MOLECULAR FORMULA: C38H47N5O5
MOLECULAR WEIGHT: 653.81028
SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=C6C(=C5)C=CO6
Structure:
CAS RN: 55395-07-8
CAS Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C26H28O10
MOLECULAR WEIGHT: 500.49452
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O)O)C4=CC=C(C=C4)O)O)O)O
Structure:
CAS RN: 113558-10-4
CAS Name: 3-[[(3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-1-benzopyran-4-one
OPENEYE Name: 3-[(3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
IUPAC Name: 3-[(3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
SYSTEMATIC NAME: 3-[(3R,4R,5R,6S)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C32H38O15
MOLECULAR WEIGHT: 662.63512
SMILES: C[C@H]1[C@@H]([C@H]([C@H](C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O)O)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
Structure:
CAS RN: 113558-11-5
CAS Name: 3-[[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-ben
OPENEYE Name: 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)c
IUPAC Name: 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-
SYSTEMATIC NAME: 7-[(1R,2R,3S,4R,5R)-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxy-3-[(2S,3R,4R,5R,6S)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-5-oxida
MOLECULAR FORMULA: C39H50O19
MOLECULAR WEIGHT: 822.8029
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@@H]4C[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)O)C5=CC=C(C=C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O
Structure:
CAS RN: 113558-13-7
CAS Name: 5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-4-pyrano[2,3-h][1]benzopyranone
OPENEYE Name: 5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-pyrano[2,3-h]chromen-4-one
IUPAC Name: 5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypyrano[2,3-h]chromen-4-one
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)-8,8-dimethyl-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-pyrano[2,3-h]chromen-4-one
MOLECULAR FORMULA: C26H26O10
MOLECULAR WEIGHT: 498.47864
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C4C=CC(OC4=CC(=C3C2=O)O)(C)C)C5=CC=C(C=C5)O)O)O)O
Structure:
CAS RN: 520-30-9
CAS Name: 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one
OPENEYE Name: 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
IUPAC Name: 2-(2,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
SYSTEMATIC NAME: 2-[2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C15H10O6
MOLECULAR WEIGHT: 286.2363
SMILES: C1=CC(=C(C=C1O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Structure:
CAS RN: 62596-34-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H22O6
MOLECULAR WEIGHT: 418.43858
SMILES: CC(=CC1C2=C(C3=C(O1)C=C(C=C3)O)OC4=C5C=CC(OC5=CC(=C4C2=O)O)(C)C)C
Structure:
CAS RN: 62949-93-3
CAS Name: 2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-4-pyrano[2,3-h][1]benzopyranone
OPENEYE Name: 2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(3-hydroxy-3-methyl-butyl)-8,8-dimethyl-pyrano[2,3-h]chromen-4-one
IUPAC Name: 2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
SYSTEMATIC NAME: 2-[2,4-bis(oxidanyl)phenyl]-8,8-dimethyl-3-(3-methyl-3-oxidanyl-butyl)-5-oxidanyl-pyrano[2,3-h]chromen-4-one
MOLECULAR FORMULA: C25H26O7
MOLECULAR WEIGHT: 438.46974
SMILES: CC1(C=CC2=C3C(=C(C=C2O1)O)C(=O)C(=C(O3)C4=C(C=C(C=C4)O)O)CCC(C)(C)O)C
Structure:
CAS RN: 104494-29-3
CAS Name: 2-[4,5-dihydroxy-2,3-bis(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-8-(2-methylbut-3-en-2-yl)-1-benzopyran-4-one
OPENEYE Name: 2-[4,5-dihydroxy-2,3-bis(3-methylbut-2-enyl)phenyl]-8-(1,1-dimethylallyl)-3,5,7-trihydroxy-chromen-4-one
IUPAC Name: 2-[4,5-dihydroxy-2,3-bis(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-8-(2-methylbut-3-en-2-yl)chromen-4-one
SYSTEMATIC NAME: 2-[2,3-bis(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-8-(2-methylbut-3-en-2-yl)-3,5,7-tris(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C30H34O7
MOLECULAR WEIGHT: 506.58676
SMILES: CC(=CCC1=C(C(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)C(C)(C)C=C)O)O)O)CC=C(C)C)C
Structure:
CAS RN: 129145-54-6
CAS Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methylbut-2-enyl)-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-6-(3-methylbut-2-enyl)-3,5,7-tris(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C20H18O7
MOLECULAR WEIGHT: 370.35272
SMILES: CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)O)C
Structure:
CAS RN: 109605-79-0
CAS Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-(3-methylbut-2-enyl)-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-(3-methylbut-2-enyl)chromen-4-one
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-(3-methylbut-2-enyl)chromen-4-one
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)-3-methoxy-6-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C21H20O6
MOLECULAR WEIGHT: 368.3799
SMILES: CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)O)C
Structure:
CAS RN: 60197-60-6
CAS Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-1-benzopyran-4-one
OPENEYE Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-3,5,7-tris(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C20H18O6
MOLECULAR WEIGHT: 354.35332
SMILES: CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)O)C
Structure:
CAS RN: 142474-52-0
CAS Name: 3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)-1-benzopyran-4-one
OPENEYE Name: 3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one
IUPAC Name: 3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one
SYSTEMATIC NAME: 6-(3-methylbut-2-enyl)-2-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-3,5,7-tris(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C25H26O6
MOLECULAR WEIGHT: 422.47034
SMILES: CC(=CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)O)CC=C(C)C)O)O)O)C
Structure:
CAS RN: 129683-93-8
CAS Name: 5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)-4-pyrano[2,3-h][1]benzopyranone
OPENEYE Name: 5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)pyrano[2,3-h]chromen-4-one
IUPAC Name: 5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)pyrano[2,3-h]chromen-4-one
SYSTEMATIC NAME: 8,8-dimethyl-3-(3-methylbut-2-enyl)-5-oxidanyl-2-[2,4,5-tris(oxidanyl)phenyl]pyrano[2,3-h]chromen-4-one
MOLECULAR FORMULA: C25H24O7
MOLECULAR WEIGHT: 436.45386
SMILES: CC(=CCC1=C(OC2=C3C=CC(OC3=CC(=C2C1=O)O)(C)C)C4=CC(=C(C=C4O)O)O)C
Structure:
CAS RN: 73343-42-7
CAS Name: 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)-1-benzopyran-4-one
OPENEYE Name: 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
IUPAC Name: 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
SYSTEMATIC NAME: 2-[2,4-bis(oxidanyl)phenyl]-3-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C20H18O6
MOLECULAR WEIGHT: 354.35332
SMILES: CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=C(C=C(C=C3)O)O)C
Structure:
CAS RN: 85802-38-6
CAS Name: 2-(2,4-dihydroxyphenyl)-8-[2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)-4-oxo-1-benzopyran-8-yl]-5-hydroxy-9,9,11-trimethyl-3-(3-methylbut-2-enyl)-8,8a,10,12a-tetrahydro[2]benzopyrano[3,4-h][1]benzopyran-4-one
OPENEYE Name: 2-(2,4-dihydroxyphenyl)-8-[2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)-4-oxo-chromen-8-yl]-5-hydroxy-9,9,11-trimethyl-3-(3-methylbut-2-enyl)-8,8a,10,12a-tetrahydroisochromeno[3,4-h]chromen-4-one
IUPAC Name: 2-(2,4-dihydroxyphenyl)-8-[2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)-4-oxochromen-8-yl]-5-hydroxy-9,9,11-trimethyl-3-(3-methylbut-2-enyl)-8,8a,10,12a-tetrahydroisochromeno[3,4-h]chromen-4-one
SYSTEMATIC NAME: 2-[2,4-bis(oxidanyl)phenyl]-8-[2-[2,4-bis(oxidanyl)phenyl]-3-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-8-yl]-9,9,11-trimethyl-3-(3-methylbut-2-enyl)-5-oxidanyl-8,8a,10,12a-tetrahydroisochromeno[3,4-h]chromen-4-one
MOLECULAR FORMULA: C50H48O12
MOLECULAR WEIGHT: 840.90892
SMILES: CC1=CC2C(C(OC3=CC(=C4C(=C23)OC(=C(C4=O)CC=C(C)C)C5=C(C=C(C=C5)O)O)O)C6=C(C=C(C7=C6OC(=C(C7=O)CC=C(C)C)C8=C(C=C(C=C8)O)O)O)O)C(C1)(C)C
Structure:
CAS RN: 62949-79-5
CAS Name: 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)-1-benzopyran-4-one
OPENEYE Name: 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)chromen-4-one
IUPAC Name: 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)chromen-4-one
SYSTEMATIC NAME: 2-[2,4-bis(oxidanyl)phenyl]-3,8-bis(3-methylbut-2-enyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C25H26O6
MOLECULAR WEIGHT: 422.47034
SMILES: CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)CC=C(C)C)C3=C(C=C(C=C3)O)O)O)O)C
Structure:
CAS RN: 126716-35-6
CAS Name: 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-1-benzopyran-6-yl)-6-(3-methylbut-2-enyl)-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-chromen-6-yl)-6-(3-methylbut-2-enyl)chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-methylbut-2-enyl)chromen-4-one
SYSTEMATIC NAME: 3-(2,2-dimethyl-8-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=CC4=C(C(=C3)O)OC(C=C4)(C)C)O)C
Structure:
CAS RN: 129280-33-7
CAS Name: 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-1-benzopyran-6-yl)-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-chromen-6-yl)chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
SYSTEMATIC NAME: 3-(2,2-dimethyl-8-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(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O)C
Structure:
CAS RN: 47893-59-4
CAS Name: 4-[2-[6-[[[[6-[(4-carboxyphenyl)hydrazinylidene]-5-oxo-7-sulfo-2-naphthalenyl]amino]-oxomethyl]amino]-1-oxo-3-sulfo-2-naphthalenylidene]hydrazinyl]benzoic acid
OPENEYE Name: 4-[2-[6-[[6-[(4-carboxyphenyl)hydrazono]-5-oxo-7-sulfo-2-naphthyl]carbamoylamino]-1-oxo-3-sulfo-2-naphthylidene]hydrazino]benzoic acid
IUPAC Name: 4-[2-[6-[[6-[(4-carboxyphenyl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]carbamoylamino]-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[6-[[6-[(4-carboxyphenyl)hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-2-yl]carbamoylamino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]benzoic acid
MOLECULAR FORMULA: C35H24N6O13S2
MOLECULAR WEIGHT: 800.72746
SMILES: C1=CC(=CC=C1C(=O)O)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C(=O)C(=NNC6=CC=C(C=C6)C(=O)O)C(=C5)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 55481-91-9
CAS Name: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl
IUPAC Name: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(3-methoxy-4-oxidanyl-phenyl)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C34H42O21
MOLECULAR WEIGHT: 786.68468
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)OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC(=C(C=C6)O)OC)O)O)O)O)O)O
Structure:
CAS RN: 111393-97-6
CAS Name: 5,7-dihydroxy-2-[3-methoxy-4-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-[3-methoxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chro
IUPAC Name: 5,7-dihydroxy-2-[3-methoxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-[4-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methoxy-phenyl]-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C34H42O21
MOLECULAR WEIGHT: 786.68468
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)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC)O)O)O)O)O)O
Structure:
CAS RN: 604-80-8
CAS Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-(3-methoxy-4-oxidanyl-phenyl)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C28H32O16
MOLECULAR WEIGHT: 624.54408
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)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O
Structure:
CAS RN: 168009-85-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H55NO22
MOLECULAR WEIGHT: 961.9117
SMILES: C[C@H]1CCC(=O)[C@H](C(=O)OC[C@]23[C@@H]([C@@H]([C@@H]4[C@H]([C@]25C([C@H]([C@@H]([C@@H]3OC(=O)C)OC(=O)C)OC(=O)[C@@]([C@@H](C6=C(C=NC=C6)C(=O)OC[C@@]4(O5)C)C)(C)O)(C)O)OC(=O)C)OC1=O)OC(=O)C)CC(=O)OC
Structure:
CAS RN: 6452-15-9
CAS Name: 1,1-diethyl-3-[(E)-(1-methyl-2-oxo-3-indolylidene)amino]thiourea
OPENEYE Name: 1,1-diethyl-3-[(E)-(1-methyl-2-oxo-indolin-3-ylidene)amino]thiourea
IUPAC Name: 1,1-diethyl-3-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1,1-diethyl-3-[(E)-(1-methyl-2-oxidanylidene-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C14H18N4OS
MOLECULAR WEIGHT: 290.38392
SMILES: CCN(CC)C(=S)N/N=C/1\C2=CC=CC=C2N(C1=O)C
Structure:
CAS RN: 149379-26-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H21NO8
MOLECULAR WEIGHT: 499.46824
SMILES: COC1=C(C=C(C=C1)C2=C3C4=CC(=C(C=C4C=CN3C5=C2C6=CC(=C(C=C6OC5=O)O)OC)O)OC)O
Structure:
CAS RN: 189083-85-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H25NO9
MOLECULAR WEIGHT: 543.5208
SMILES: COC1=C(C=C(C=C1)C2=C3C4=CC(=C(C(=C4C=CN3C5=C2C6=CC(=C(C=C6OC5=O)O)OC)OC)OC)OC)O
Structure:
CAS RN: 189083-78-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H27NO9
MOLECULAR WEIGHT: 545.53668
SMILES: COC1=C(C=C(C=C1)C2=C3C4=CC(=C(C(=C4CCN3C5=C2C6=CC(=C(C=C6OC5=O)O)OC)OC)OC)OC)O
Structure:
CAS RN: 151922-17-7
CAS Name: N-[(5aR,6aS,7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-7-(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-2-(dimethylamino)acetamide
OPENEYE Name: N-[(5aR,6aS,7S,9Z,10aS)-9-[amino(hydroxy)methylene]-7-(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-2-(dimethylamino)acetamide
IUPAC Name: N-[(5aR,6aS,7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-7-(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-2-(dimethylamino)acetamide
SYSTEMATIC NAME: N-[(5aR,6aS,7S,9Z,10aS)-9-[azanyl(oxidanyl)methylidene]-7-(dimethylamino)-1,10a,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-2-(dimethylamino)ethanamide
MOLECULAR FORMULA: C25H30N4O8
MOLECULAR WEIGHT: 514.5277
SMILES: CN(C)CC(=O)NC1=C(C2=C(C[C@H]3C[C@H]4[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]4(C(=O)C3=C2O)O)N(C)C)C=C1)O
Structure:
CAS RN: 168009-84-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H55NO21
MOLECULAR WEIGHT: 945.9123
SMILES: C[C@H]1CCC(=O)[C@H](C(=O)OC[C@]23[C@@H]([C@@H]([C@@H]4[C@H]([C@]25C([C@H]([C@@H]([C@@H]3OC(=O)C)OC(=O)C)OC(=O)[C@H]([C@@H](C6=C(C=CC=N6)C(=O)OC[C@@]4(O5)C)C)C)(C)O)OC(=O)C)OC1=O)OC(=O)C)CC(=O)OC
Structure:
CAS RN: 143353-30-4
CAS Name: (1R,2R,4R,6R,7R,8R,10R,13R,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-(4-phenylbutyl)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone
OPENEYE Name: (1R,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-(4-phenylbutyl)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone
IUPAC Name: (1R,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-(4-phenylbutyl)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone
SYSTEMATIC NAME: (1R,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-(4-phenylbutyl)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone
MOLECULAR FORMULA: C41H64N2O10
MOLECULAR WEIGHT: 744.95426
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCC4=CC=CC=C4)C
Structure:
CAS RN: 130036-75-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H30O27
MOLECULAR WEIGHT: 954.6607
SMILES: C1[C@@H]2[C@@H]3[C@H]([C@@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(O1)O)O)O)O)O)O)O)OC(=O)C6=CC(=C(C7=C6C8C(=CC(=O)C(C8(O)O)(O7)O)C(=O)O3)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O
Structure:
CAS RN: 161159-55-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H30O27
MOLECULAR WEIGHT: 954.6607
SMILES: C1[C@@H]2[C@@H]3[C@H]([C@@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(O1)O)O)O)O)O)O)O)OC(=O)C6=CC(=C(C7=C6C8C(=CC(=O)C(C8(O)O)(O7)O)C(=O)O3)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O
Structure:
CAS RN: 178978-99-9
CAS Name: (2Z)-4-[(3,5-dimethylphenyl)thio]-3-methyl-2-(nitrosomethylidene)-5-propan-2-yl-1H-imidazole
OPENEYE Name: (2Z)-4-(3,5-dimethylphenyl)sulfanyl-5-isopropyl-3-methyl-2-(nitrosomethylene)-1H-imidazole
IUPAC Name: (2Z)-4-(3,5-dimethylphenyl)sulfanyl-3-methyl-2-(nitrosomethylidene)-5-propan-2-yl-1H-imidazole
SYSTEMATIC NAME: (2Z)-4-(3,5-dimethylphenyl)sulfanyl-3-methyl-2-(nitrosomethylidene)-5-propan-2-yl-1H-imidazole
MOLECULAR FORMULA: C16H21N3OS
MOLECULAR WEIGHT: 303.42244
SMILES: CC1=CC(=CC(=C1)SC2=C(N/C(=C/N=O)/N2C)C(C)C)C
Structure:
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