Protocatechuic acid 3-glucoside (CHEBI:167537)

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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	Protocatechuic acid 3-glucoside

ChEBI ID	CHEBI:167537

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H16O9

Net Charge

Average Mass

316.262

Monoisotopic Mass

316.07943

InChI

InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-7-3-5(12(19)20)1-2-6(7)15/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1

InChIKey

ZABGRNGGJZBHDJ-BZNQNGANSA-N

SMILES

O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(O)C=CC(=C2)C(O)=O)CO

Metabolite of Species	Details
Gomphrena (NCBI:txid169521)	Found in leaf (BTO:0000713). of strain Gomphrena agrestis Mart. See: MetaboLights Study

Roles Classification
Application(s):	astringent A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions. (via tannin )

ChEBI Ontology
Outgoing	Protocatechuic acid 3-glucoside (CHEBI:167537) is a tannin (CHEBI:26848)

IUPAC Name

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