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CHEBI:89287 - 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide

ChEBI IDCHEBI:89287
ChEBI Name5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide
Stars
DownloadsMolfile
FormulaC18H22O10
Net Charge0
Average Mass398.364
Monoisotopic Mass398.12130
SMILESO=C1CCC(Cc2ccc(O)c(OC3C(O)C(O)C(O)C(O)C3C(=O)O)c2)O1
InChIInChI=1S/C18H22O10/c19-9-3-1-7(5-8-2-4-11(20)27-8)6-10(9)28-17-12(18(25)26)13(21)14(22)15(23)16(17)24/h1,3,6,8,12-17,19,21-24H,2,4-5H2,(H,25,26)
InChIKeyRALBOGKBFZBDKY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22827565)
ChEBI Ontology
Outgoing Relation(s)
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide (CHEBI:89287) is a methoxybenzenes (CHEBI:51683)
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide (CHEBI:89287) is a phenols (CHEBI:33853)
Synonym  Source
2,3,4,5-tetrahydroxy-6-{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}cyclohexane-1-carboxylic acidHMDB
Manual XrefsDatabases
HMDB0029190HMDB
Citations