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CHEBI:88687 - 4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide

ChEBI IDCHEBI:88687
ChEBI Name4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide
Stars
DownloadsMolfile
FormulaC18H26O12
Net Charge0
Average Mass434.394
Monoisotopic Mass434.14243
SMILESO=C(CCC(O)Cc1cc(O)cc(O)c1)OCOC1OC(C(O)O)C(O)C(O)C1O
InChIInChI=1S/C18H26O12/c19-9(3-8-4-10(20)6-11(21)5-8)1-2-12(22)28-7-29-18-15(25)13(23)14(24)16(30-18)17(26)27/h4-6,9,13-21,23-27H,1-3,7H2
InChIKeyNLJOFAILECLFIF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22827565)
ChEBI Ontology
Outgoing Relation(s)
4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide (CHEBI:88687) is a trisaccharide derivative (CHEBI:63571)
Synonym  Source
{[6-(dihydroxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl 5-(3,5-dihydroxyphenyl)-4-hydroxypentanoateHMDB
Manual XrefsDatabases
HMDB0059974HMDB
Citations