Methyl 3,4,6-tri-O-galloyl-beta-D-glucopyranoside (CHEBI:231987)

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CHEBI:231987 - Methyl 3,4,6-tri-O-galloyl-beta-D-glucopyranoside

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ChEBI ID	CHEBI:231987
ChEBI Name	Methyl 3,4,6-tri-O-galloyl-beta-D-glucopyranoside
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H26O18
Net Charge	0
Average Mass	650.498
Monoisotopic Mass	650.11191
SMILES	COC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C1O
InChI	InChI=1S/C28H26O18/c1-42-28-22(38)24(46-27(41)11-6-16(33)21(37)17(34)7-11)23(45-26(40)10-4-14(31)20(36)15(32)5-10)18(44-28)8-43-25(39)9-2-12(29)19(35)13(30)3-9/h2-7,18,22-24,28-38H,8H2,1H3
InChIKey	DXMITXYQZDSXOV-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	esophageal mucosa (BTO:0002859)	MetaboLights (MTBLS4816)

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 3,4,6-tri-O-galloyl-beta-D-glucopyranoside (CHEBI:231987) is a tannin (CHEBI:26848)

IUPAC Name
[5-hydroxy-6-methoxy-3,4-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Manual Xrefs	Databases
HMDB0039183	HMDB