3,4,5-trihydroxy-6-{3-hydroxy-5-[2-(3-hydroxyphenyl)ethyl]phenoxy}oxane-2-carboxylic acid (CHEBI:190882)

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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	3,4,5-trihydroxy-6-{3-hydroxy-5-[2-(3-hydroxyphenyl)ethyl]phenoxy}oxane-2-carboxylic acid

ChEBI ID	CHEBI:190882

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H22O9

Net Charge

Average Mass

406.387

Monoisotopic Mass

406.12638

InChI

InChI=1S/C20H22O9/c21-12-3-1-2-10(6-12)4-5-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-3,6-9,15-18,20-25H,4-5H2,(H,26,27)

InChIKey

YRIGVZMZYJLQGA-UHFFFAOYSA-N

SMILES

O1C(OC2=CC(CCC3=CC(O)=CC=C3)=CC(O)=C2)C(O)C(O)C(O)C1C(O)=O

Metabolite of Species	Details
Oryza sativa (NCBI:txid4530)	Found in root (BTO:0001188). See: MetaboLights Study

ChEBI Ontology
Outgoing	3,4,5-trihydroxy-6-{3-hydroxy-5-[2-(3-hydroxyphenyl)ethyl]phenoxy}oxane-2-carboxylic acid (CHEBI:190882) is a glycoside (CHEBI:24400) 3,4,5-trihydroxy-6-{3-hydroxy-5-[2-(3-hydroxyphenyl)ethyl]phenoxy}oxane-2-carboxylic acid (CHEBI:190882) is a stilbenoid (CHEBI:26776)

IUPAC Name

3,4,5-trihydroxy-6-[3-hydroxy-5-[2-(3-hydroxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid