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Phenylpropanoids and polyketides

Phenylpropaniods are organic compounds characterized by having an aromatic ring and a three-carbon propene tail. Polyketides are compounds characterized by having two or more carbonyl functional groups connected with a single carbon atom.
Cinnamic acids and derivatives (267)
Coumarins and derivatives (263)
Flavonoids (174)
Phenylpropanoic acids (166)
Linear 1 3-diarylpropanoids (140)
Depsides and depsidones (69)
Stilbenes (60)
Cinnamaldehydes (42)
Isoflavonoids (41)
Isocoumarins and derivatives (18)
Cinnamyl alcohols (16)
Tetracyclines (10)
Anthracyclines (7)
Dihydrocoumarins (5)
Macrolide lactams (4)
Macrolactams (3)
Macrolides and analogues (2)
Neoflavonoids (2)
Angucyclines (1)
Ochratoxins and related substances (1)

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1

Benzoin methyl ether, 97%

CAS: 3524-62-7 Formule moléculaire: C15H14O2 Poids moléculaire (g/mol): 226.275 Numéro MDL: MFCD00008492 Clé InChI: BQZJOQXSCSZQPS-UHFFFAOYSA-N Synonyme: benzoin methyl ether,methyl benzoin,benzoin methyl ester,o-methylbenzoin,2-methoxy-2-phenylacetophenone,nisso cure mbo,ethanone, 2-methoxy-1,2-diphenyl,acetophenone, 2-methoxy-2-phenyl,qcu 3,alpha-methoxydeoxybenzoin CID PubChem: 98097 Nom IUPAC: 2-methoxy-1,2-diphenylethanone SMILES: COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2

Poids moléculaire (g/mol) 226.275
Synonyme benzoin methyl ether,methyl benzoin,benzoin methyl ester,o-methylbenzoin,2-methoxy-2-phenylacetophenone,nisso cure mbo,ethanone, 2-methoxy-1,2-diphenyl,acetophenone, 2-methoxy-2-phenyl,qcu 3,alpha-methoxydeoxybenzoin
Numéro MDL MFCD00008492
CAS 3524-62-7
CID PubChem 98097
Nom IUPAC 2-methoxy-1,2-diphenylethanone
Clé InChI BQZJOQXSCSZQPS-UHFFFAOYSA-N
SMILES COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
Formule moléculaire C15H14O2
2

4-Amino-4'-nitrostilbene-2,2'-disulfonic acid, tech. 80%, Thermo Scientific Chemicals

CAS: 119-72-2 Formule moléculaire: C14H12N2O8S2 Poids moléculaire (g/mol): 400.376 Numéro MDL: MFCD00035915 Clé InChI: GHBWBMDGBCKAQU-OWOJBTEDSA-N Synonyme: 4-nitro-4'-aminostilbene-2,2'-disulfonic acid,4-amino-4'-nitro-2,2'-stilbenedisulfonic acid,4-amino-4'-nitrostilbene-2,2'-disulfonic acid,kyselina 4-amino-4'-nitrostilben-2,2'-disulfonova czech,kyselina 4-nitro-4'-aminostilben-2,2'-disulfonova czech,benzenesulfonic acid, 5-amino-2-2-4-nitro-2-sulfophenyl ethenyl,2,2'-stilbenedisulfonic acid, 4-amino-4'-nitro,5-amino-2-2-4-nitro-2-sulphophenyl vinyl benzenesulphonic acid,5-amino-2-e-2-4-nitro-2-sulfo-phenyl vinyl benzenesulfonic acid,5-amino-2-e-2-4-nitro-2-sulfophenyl ethenyl benzenesulfonic acid CID PubChem: 5473847 Nom IUPAC: 5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

Poids moléculaire (g/mol) 400.376
Synonyme 4-nitro-4'-aminostilbene-2,2'-disulfonic acid,4-amino-4'-nitro-2,2'-stilbenedisulfonic acid,4-amino-4'-nitrostilbene-2,2'-disulfonic acid,kyselina 4-amino-4'-nitrostilben-2,2'-disulfonova czech,kyselina 4-nitro-4'-aminostilben-2,2'-disulfonova czech,benzenesulfonic acid, 5-amino-2-2-4-nitro-2-sulfophenyl ethenyl,2,2'-stilbenedisulfonic acid, 4-amino-4'-nitro,5-amino-2-2-4-nitro-2-sulphophenyl vinyl benzenesulphonic acid,5-amino-2-e-2-4-nitro-2-sulfo-phenyl vinyl benzenesulfonic acid,5-amino-2-e-2-4-nitro-2-sulfophenyl ethenyl benzenesulfonic acid
Numéro MDL MFCD00035915
CAS 119-72-2
CID PubChem 5473847
Nom IUPAC 5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid
Clé InChI GHBWBMDGBCKAQU-OWOJBTEDSA-N
SMILES C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O
Formule moléculaire C14H12N2O8S2
3

Chrysophenine sodium salt, Thermo Scientific Chemicals

CAS: 2870-32-8 Formule moléculaire: C30H26N4Na2O8S2 Poids moléculaire (g/mol): 680.66 Numéro MDL: MFCD00007488 Clé InChI: YQMJDPHTMKUEHG-RPKDOIGLSA-L Synonyme: chrysophenine g,chrysophenine j,chrysophenine y,aurophenine o,chrysophenine gp,chrysophenine ns,direct yellow c,benzo yellow lg,erie yellow y,chrysophenine esp CID PubChem: 54603156 Nom IUPAC: sodium;5-[(4-ethoxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid SMILES: [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(\C=C/C2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O

Poids moléculaire (g/mol) 680.66
Synonyme chrysophenine g,chrysophenine j,chrysophenine y,aurophenine o,chrysophenine gp,chrysophenine ns,direct yellow c,benzo yellow lg,erie yellow y,chrysophenine esp
Numéro MDL MFCD00007488
CAS 2870-32-8
CID PubChem 54603156
Nom IUPAC sodium;5-[(4-ethoxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
Clé InChI YQMJDPHTMKUEHG-RPKDOIGLSA-L
SMILES [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(\C=C/C2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O
Formule moléculaire C30H26N4Na2O8S2
4

Anisoin, 95%

CAS: 119-52-8 Formule moléculaire: C16H16O4 Poids moléculaire (g/mol): 272.30 Numéro MDL: MFCD00008411 Clé InChI: LRRQSCPPOIUNGX-UHFFFAOYNA-N Synonyme: anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one CID PubChem: 95415 Nom IUPAC: 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1

Poids moléculaire (g/mol) 272.30
Synonyme anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one
Numéro MDL MFCD00008411
CAS 119-52-8
CID PubChem 95415
Nom IUPAC 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone
Clé InChI LRRQSCPPOIUNGX-UHFFFAOYNA-N
SMILES COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1
Formule moléculaire C16H16O4
5

4,4'-Diaminostilbene-2,2'-disulfonic acid, 95%

CAS: 81-11-8 Formule moléculaire: C14H14N2O6S2 Poids moléculaire (g/mol): 370.394 Numéro MDL: MFCD00024946 Clé InChI: REJHVSOVQBJEBF-OWOJBTEDSA-N Synonyme: amsonic acid,flavonic acid,tinopal bhs,amsonsaeure,dasd,4,4'-diaminostilbene-2,2'-disulfonic acid,unii-h68088wvjl,2,2'-disulfo-4,4'-stilbenediamine,diaminostilbenedisulfonic acid,4,4'-diaminostilbene-2,2'-disulphonic acid CID PubChem: 5284378 Nom IUPAC: 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O

Poids moléculaire (g/mol) 370.394
Synonyme amsonic acid,flavonic acid,tinopal bhs,amsonsaeure,dasd,4,4'-diaminostilbene-2,2'-disulfonic acid,unii-h68088wvjl,2,2'-disulfo-4,4'-stilbenediamine,diaminostilbenedisulfonic acid,4,4'-diaminostilbene-2,2'-disulphonic acid
Numéro MDL MFCD00024946
CAS 81-11-8
CID PubChem 5284378
Nom IUPAC 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid
Clé InChI REJHVSOVQBJEBF-OWOJBTEDSA-N
SMILES C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O
Formule moléculaire C14H14N2O6S2
6

Anisoin, 97%

CAS: 119-52-8 Formule moléculaire: C16H16O4 Poids moléculaire (g/mol): 272.30 Numéro MDL: MFCD00008411 Clé InChI: LRRQSCPPOIUNGX-UHFFFAOYNA-N Synonyme: anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one CID PubChem: 95415 Nom IUPAC: 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1

Poids moléculaire (g/mol) 272.30
Synonyme anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one
Numéro MDL MFCD00008411
CAS 119-52-8
CID PubChem 95415
Nom IUPAC 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone
Clé InChI LRRQSCPPOIUNGX-UHFFFAOYNA-N
SMILES COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1
Formule moléculaire C16H16O4
7

4-Hydroxy-7-methoxycoumarin, 95%

CAS: 17575-15-4 Formule moléculaire: C10H8O4 Poids moléculaire (g/mol): 192.17 Numéro MDL: MFCD00673700 Clé InChI: HFGKBQZAHZKDLV-UHFFFAOYSA-N CID PubChem: 54691408 Nom IUPAC: 4-hydroxy-7-methoxychromen-2-one SMILES: COC1=CC=C2C(=O)C=C(O)OC2=C1

Poids moléculaire (g/mol) 192.17
Numéro MDL MFCD00673700
CAS 17575-15-4
CID PubChem 54691408
Nom IUPAC 4-hydroxy-7-methoxychromen-2-one
Clé InChI HFGKBQZAHZKDLV-UHFFFAOYSA-N
SMILES COC1=CC=C2C(=O)C=C(O)OC2=C1
Formule moléculaire C10H8O4
8

Coumarin-3-carboxylic acid, 98%

CAS: 531-81-7 Formule moléculaire: C10H6O4 Poids moléculaire (g/mol): 190.15 Numéro MDL: MFCD00006852 Clé InChI: ACMLKANOGIVEPB-UHFFFAOYSA-N Synonyme: coumarin-3-carboxylic acid,2-oxo-2h-chromene-3-carboxylic acid,3-carboxycoumarin,2-oxobenzopyran-3-carboxylic acid,g 1 rodenticide,2h-1-benzopyran-3-carboxylic acid, 2-oxo,2-oxo-2h-1-benzopyran-3-carboxylic acid,unii-v85uov8788,g 1 the rodenticide van,g 1 van CID PubChem: 10752 Nom IUPAC: 2-oxochromene-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O

Poids moléculaire (g/mol) 190.15
Synonyme coumarin-3-carboxylic acid,2-oxo-2h-chromene-3-carboxylic acid,3-carboxycoumarin,2-oxobenzopyran-3-carboxylic acid,g 1 rodenticide,2h-1-benzopyran-3-carboxylic acid, 2-oxo,2-oxo-2h-1-benzopyran-3-carboxylic acid,unii-v85uov8788,g 1 the rodenticide van,g 1 van
Numéro MDL MFCD00006852
CAS 531-81-7
CID PubChem 10752
Nom IUPAC 2-oxochromene-3-carboxylic acid
Clé InChI ACMLKANOGIVEPB-UHFFFAOYSA-N
SMILES C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O
Formule moléculaire C10H6O4
9

4-(Bromomethyl)-7-methoxycoumarin, 97%

CAS: 35231-44-8 Formule moléculaire: C11H9BrO3 Poids moléculaire (g/mol): 269.09 Numéro MDL: MFCD00006869 Clé InChI: CTENSLORRMFPDH-UHFFFAOYSA-N Synonyme: 4-bromomethyl-7-methoxycoumarin,4-bromomethyl-7-methoxy-2h-chromen-2-one,br-mmc,ccris 7996,4-bromomethyl-7-methoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-7-methoxy,4-bromomethyl-7-methoxy-2-oxo-2h-benzopyran,acmc-1agnd,4-brommethyl-7-methoxy-2h-chromen-2-on,4-bromomethyl-7-methoxy coumarin CID PubChem: 121894 Nom IUPAC: 4-(bromomethyl)-7-methoxychromen-2-one SMILES: COC1=CC=C2C(CBr)=CC(=O)OC2=C1

Poids moléculaire (g/mol) 269.09
Synonyme 4-bromomethyl-7-methoxycoumarin,4-bromomethyl-7-methoxy-2h-chromen-2-one,br-mmc,ccris 7996,4-bromomethyl-7-methoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-7-methoxy,4-bromomethyl-7-methoxy-2-oxo-2h-benzopyran,acmc-1agnd,4-brommethyl-7-methoxy-2h-chromen-2-on,4-bromomethyl-7-methoxy coumarin
Numéro MDL MFCD00006869
CAS 35231-44-8
CID PubChem 121894
Nom IUPAC 4-(bromomethyl)-7-methoxychromen-2-one
Clé InChI CTENSLORRMFPDH-UHFFFAOYSA-N
SMILES COC1=CC=C2C(CBr)=CC(=O)OC2=C1
Formule moléculaire C11H9BrO3
10

3,3'-Carbonylbis(7-diethylaminocoumarin), 99%

CAS: 63226-13-1 Formule moléculaire: C27H28N2O5 Poids moléculaire (g/mol): 460.52 Numéro MDL: MFCD00050047 Clé InChI: SANIRTQDABNCHF-UHFFFAOYSA-N Synonyme: 3,3'-carbonylbis 7-diethylaminocoumarin,3,3'-carbonylbis 7-diethylamino-2h-chromen-2-one,2h-1-benzopyran-2-one, 3,3'-carbonylbis 7-diethylamino,7-diethylamino-3-7-diethylamino-2-oxochromene-3-carbonyl chromen-2-one,7-diethylamino-3-7-diethylamino-2-oxochromen-3-yl carbonyl chromen-2-one,3,3'-carbonyl-bis-7-diethylaminocoumarin,2h-1-benzopyran-2-one, 3,3-carbonylbis 7-diethylamino,7-diethylamino-3-7-diethylamino-2-oxo-2h-chromen-3-yl carbonyl-2h-ch romen-2-one CID PubChem: 113160 Nom IUPAC: 7-(diethylamino)-3-[7-(diethylamino)-2-oxochromene-3-carbonyl]chromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC4=C(C=C(C=C4)N(CC)CC)OC3=O

Poids moléculaire (g/mol) 460.52
Synonyme 3,3'-carbonylbis 7-diethylaminocoumarin,3,3'-carbonylbis 7-diethylamino-2h-chromen-2-one,2h-1-benzopyran-2-one, 3,3'-carbonylbis 7-diethylamino,7-diethylamino-3-7-diethylamino-2-oxochromene-3-carbonyl chromen-2-one,7-diethylamino-3-7-diethylamino-2-oxochromen-3-yl carbonyl chromen-2-one,3,3'-carbonyl-bis-7-diethylaminocoumarin,2h-1-benzopyran-2-one, 3,3-carbonylbis 7-diethylamino,7-diethylamino-3-7-diethylamino-2-oxo-2h-chromen-3-yl carbonyl-2h-ch romen-2-one
Numéro MDL MFCD00050047
CAS 63226-13-1
CID PubChem 113160
Nom IUPAC 7-(diethylamino)-3-[7-(diethylamino)-2-oxochromene-3-carbonyl]chromen-2-one
Clé InChI SANIRTQDABNCHF-UHFFFAOYSA-N
SMILES CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC4=C(C=C(C=C4)N(CC)CC)OC3=O
Formule moléculaire C27H28N2O5
11

4-Hydroxycoumarin, 98%

CAS: 1076-38-6 Formule moléculaire: C9H6O3 Poids moléculaire (g/mol): 162.14 Numéro MDL: MFCD00006856 Clé InChI: OWBBAPRUYLEWRR-UHFFFAOYSA-N Synonyme: 4-hydroxycoumarin,4-coumarinol,4-hydroxy-2h-chromen-2-one,benzotetronic acid,coumarin, 4-hydroxy,2h-1-benzopyran-2-one, 4-hydroxy,4-hydroxy-2h-1-benzopyran-2-one,4-hydroxy-1-benzopyran-2-one,4-hydroxy-chromen-2-one,unii-x954zll2rd CID PubChem: 54682930 ChEBI: CHEBI:40070 SMILES: OC1=CC(=O)C2=CC=CC=C2O1

Poids moléculaire (g/mol) 162.14
Synonyme 4-hydroxycoumarin,4-coumarinol,4-hydroxy-2h-chromen-2-one,benzotetronic acid,coumarin, 4-hydroxy,2h-1-benzopyran-2-one, 4-hydroxy,4-hydroxy-2h-1-benzopyran-2-one,4-hydroxy-1-benzopyran-2-one,4-hydroxy-chromen-2-one,unii-x954zll2rd
Numéro MDL MFCD00006856
CAS 1076-38-6
CID PubChem 54682930
ChEBI CHEBI:40070
Clé InChI OWBBAPRUYLEWRR-UHFFFAOYSA-N
SMILES OC1=CC(=O)C2=CC=CC=C2O1
Formule moléculaire C9H6O3
12

6-Aminocoumarin hydrochloride, 97%

CAS: 63989-79-7 Formule moléculaire: C9H8ClNO2 Poids moléculaire (g/mol): 197.62 Numéro MDL: MFCD00082671 Clé InChI: OSIGAIXSSYAHEG-UHFFFAOYSA-N Synonyme: 6-aminocoumarin hydrochloride,6-amino-2h-chromen-2-one hydrochloride,6-aminochromen-2-one hydrochloride,2-oxochromen-6-yl azanium chloride,6-aminocoumarin hci,acmc-20am07,6-amino-chromen-2-one hydrochloride,2-oxochromen-6-yl ammonium chloride,6-amino-2h-chromen-2-one hydrochloride 1:1 CID PubChem: 356789 Nom IUPAC: 6-aminochromen-2-one;hydrochloride SMILES: [Cl-].[NH3+]C1=CC=C2OC(=O)C=CC2=C1

Poids moléculaire (g/mol) 197.62
Synonyme 6-aminocoumarin hydrochloride,6-amino-2h-chromen-2-one hydrochloride,6-aminochromen-2-one hydrochloride,2-oxochromen-6-yl azanium chloride,6-aminocoumarin hci,acmc-20am07,6-amino-chromen-2-one hydrochloride,2-oxochromen-6-yl ammonium chloride,6-amino-2h-chromen-2-one hydrochloride 1:1
Numéro MDL MFCD00082671
CAS 63989-79-7
CID PubChem 356789
Nom IUPAC 6-aminochromen-2-one;hydrochloride
Clé InChI OSIGAIXSSYAHEG-UHFFFAOYSA-N
SMILES [Cl-].[NH3+]C1=CC=C2OC(=O)C=CC2=C1
Formule moléculaire C9H8ClNO2
13

3-Acetylcoumarin, 98+%

CAS: 3949-36-8 Formule moléculaire: C11H8O3 Poids moléculaire (g/mol): 188.182 Numéro MDL: MFCD00006853 Clé InChI: CSPIFKKOBWYOEX-UHFFFAOYSA-N Synonyme: 3-acetylcoumarin,3-acetyl-2h-chromen-2-one,coumarin, 3-acetyl,2h-1-benzopyran-2-one, 3-acetyl,3-acetyl-2-oxochromene,3-acetylcoumarine,pubchem8664,maybridge1_000885,prestwick0_000891,prestwick1_000891 CID PubChem: 77553 Nom IUPAC: 3-acetylchromen-2-one SMILES: CC(=O)C1=CC2=CC=CC=C2OC1=O

Poids moléculaire (g/mol) 188.182
Synonyme 3-acetylcoumarin,3-acetyl-2h-chromen-2-one,coumarin, 3-acetyl,2h-1-benzopyran-2-one, 3-acetyl,3-acetyl-2-oxochromene,3-acetylcoumarine,pubchem8664,maybridge1_000885,prestwick0_000891,prestwick1_000891
Numéro MDL MFCD00006853
CAS 3949-36-8
CID PubChem 77553
Nom IUPAC 3-acetylchromen-2-one
Clé InChI CSPIFKKOBWYOEX-UHFFFAOYSA-N
SMILES CC(=O)C1=CC2=CC=CC=C2OC1=O
Formule moléculaire C11H8O3
14

Esculin hydrate, 97%

CAS: 531-75-9 Formule moléculaire: C15H16O9 Poids moléculaire (g/mol): 340.28 Numéro MDL: MFCD00149492 Clé InChI: XHCADAYNFIFUHF-TYKRLAFXNA-N Synonyme: esculin,aesculin,esculoside,--esculin,polychrome,6,7-dihydroxycoumarin-6-o-glucoside,aesculinum,esculine,esculetin 6-o-glucoside,6,7-dihydroxycoumarin 6-glucoside CID PubChem: 5281417 ChEBI: CHEBI:4853 Nom IUPAC: 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one SMILES: OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O

Poids moléculaire (g/mol) 340.28
Synonyme esculin,aesculin,esculoside,--esculin,polychrome,6,7-dihydroxycoumarin-6-o-glucoside,aesculinum,esculine,esculetin 6-o-glucoside,6,7-dihydroxycoumarin 6-glucoside
Numéro MDL MFCD00149492
CAS 531-75-9
CID PubChem 5281417
ChEBI CHEBI:4853
Nom IUPAC 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Clé InChI XHCADAYNFIFUHF-TYKRLAFXNA-N
SMILES OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O
Formule moléculaire C15H16O9
15

7-Hydroxycoumarin, 99%

CAS: 93-35-6 Formule moléculaire: C9H6O3 Poids moléculaire (g/mol): 162.14 Numéro MDL: MFCD00006878 Clé InChI: ORHBXUUXSCNDEV-UHFFFAOYSA-N Synonyme: 7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon CID PubChem: 5281426 ChEBI: CHEBI:27510 SMILES: OC1=CC=C2C=CC(=O)OC2=C1

Poids moléculaire (g/mol) 162.14
Synonyme 7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon
Numéro MDL MFCD00006878
CAS 93-35-6
CID PubChem 5281426
ChEBI CHEBI:27510
Clé InChI ORHBXUUXSCNDEV-UHFFFAOYSA-N
SMILES OC1=CC=C2C=CC(=O)OC2=C1
Formule moléculaire C9H6O3