1,5-Anhydro-1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]hexitol (CHEBI:182286)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	1,5-Anhydro-1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]hexitol

ChEBI ID	CHEBI:182286

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H20O9

Net Charge

Average Mass

416.382

Monoisotopic Mass

416.11073

InChI

InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2

InChIKey

HKEAFJYKMMKDOR-UHFFFAOYSA-N

SMILES

O1C(C(O)C(O)C(O)C1CO)C=2C=3OC=C(C(=O)C3C=CC2O)C4=CC=C(O)C=C4

ChEBI Ontology
Outgoing	1,5-Anhydro-1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]hexitol (CHEBI:182286) is a C-glycosyl compound (CHEBI:20857) 1,5-Anhydro-1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]hexitol (CHEBI:182286) is a isoflavonoid (CHEBI:50753)

IUPAC Name

7-hydroxy-3-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one