Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside (CHEBI:172716)

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CHEBI:172716 - Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside

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ChEBI ID	CHEBI:172716
ChEBI Name	Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H22O14
Net Charge	0
Average Mass	498.393
Monoisotopic Mass	498.10096
SMILES	COC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O
InChI	InChI=1S/C21H22O14/c1-32-21-17(29)16(28)18(35-20(31)8-4-11(24)15(27)12(25)5-8)13(34-21)6-33-19(30)7-2-9(22)14(26)10(23)3-7/h2-5,13,16-18,21-29H,6H2,1H3
InChIKey	BTSUIPCMGZHMNV-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	blood plasma (BTO:0000131)	MetaboLights (MTBLS2633)

Roles Classification

astringent A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.

ChEBI Ontology

Outgoing Relation(s)
	Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside (CHEBI:172716) is a tannin (CHEBI:26848)

IUPAC Name
[4,5-dihydroxy-6-methoxy-3-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Manual Xrefs	Databases
HMDB0039180	HMDB