Methyl 3,4-dihydroxy-5-prenylbenzoate 3-glucoside (CHEBI:172635)

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CHEBI:172635 - Methyl 3,4-dihydroxy-5-prenylbenzoate 3-glucoside

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ChEBI ID	CHEBI:172635
ChEBI Name	Methyl 3,4-dihydroxy-5-prenylbenzoate 3-glucoside
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H26O9
Net Charge	0
Average Mass	398.408
Monoisotopic Mass	398.15768
SMILES	COC(=O)c1cc(CC=C(C)C)c(O)c(OC2OC(CO)C(O)C(O)C2O)c1
InChI	InChI=1S/C19H26O9/c1-9(2)4-5-10-6-11(18(25)26-3)7-12(14(10)21)27-19-17(24)16(23)15(22)13(8-20)28-19/h4,6-7,13,15-17,19-24H,5,8H2,1-3H3
InChIKey	OZKMIACEGRRXQA-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 3,4-dihydroxy-5-prenylbenzoate 3-glucoside (CHEBI:172635) is a tannin (CHEBI:26848)

IUPAC Name
methyl 4-hydroxy-3-(3-methylbut-2-enyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

Manual Xrefs	Databases
HMDB0040121	HMDB