4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide (CHEBI:88689)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:88689 - 4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide

Take structure to advanced search

ChEBI ID	CHEBI:88689
ChEBI Name	4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide
Stars
Downloads	Molfile

Formula	C18H26O12
Net Charge	0
Average Mass	434.394
Monoisotopic Mass	434.14243
SMILES	O=C(CCC(O)Cc1ccc(O)c(O)c1)OCOC1OC(C(O)O)C(O)C(O)C1O
InChI	InChI=1S/C18H26O12/c19-9(5-8-1-3-10(20)11(21)6-8)2-4-12(22)28-7-29-18-15(25)13(23)14(24)16(30-18)17(26)27/h1,3,6,9,13-21,23-27H,2,4-5,7H2
InChIKey	KRZPFELARLSRKT-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	urine (BTO:0001419)	PubMed (22827565)

ChEBI Ontology

Outgoing Relation(s)
	4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide (CHEBI:88689) is a trisaccharide derivative (CHEBI:63571)

Synonym	Source
{[6-(dihydroxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl 5-(3,4-dihydroxyphenyl)-4-hydroxypentanoate	HMDB

Manual Xrefs	Databases
HMDB0059972	HMDB

Citations