4-Glucogallic acid (CHEBI:192296)

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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	4-Glucogallic acid

ChEBI ID	CHEBI:192296

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H16O10

Net Charge

Average Mass

332.261

Monoisotopic Mass

332.07435

InChI

InChI=1S/C13H16O10/c14-3-7-8(17)9(18)10(19)13(22-7)23-11-5(15)1-4(12(20)21)2-6(11)16/h1-2,7-10,13-19H,3H2,(H,20,21)/t7-,8-,9+,10-,13+/m1/s1

InChIKey

YPSNWSNUXIIKHO-YANYRWCTSA-N

SMILES

O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(O)C=C(C=C2O)C(O)=O)CO

Metabolite of Species	Details
Ovis aries (NCBI:txid9940)	Found in Rumen (NCIT:C98778). See: MetaboLights Study

ChEBI Ontology
Outgoing	4-Glucogallic acid (CHEBI:192296) is a glycoside (CHEBI:24400)

IUPAC Name

3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid