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CHEBI:88688 - 4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide

ChEBI IDCHEBI:88688
ChEBI Name4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide
Stars
DownloadsMolfile
FormulaC17H22O11
Net Charge0
Average Mass402.352
Monoisotopic Mass402.11621
SMILESO=C(CCC(O)Cc1cc(O)cc(O)c1)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C17H22O11/c18-8(3-7-4-9(19)6-10(20)5-7)1-2-11(21)27-17-14(24)12(22)13(23)15(28-17)16(25)26/h4-6,8,12-15,17-20,22-24H,1-3H2,(H,25,26)/t8?,12-,13-,14+,15-,17+/m0/s1
InChIKeyCOBSRKLPDWFDCG-AHLSELSJSA-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-glucuronide (CHEBI:88688) is a O-acyl carbohydrate (CHEBI:52782)
4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide (CHEBI:88688) is a fatty acid derivative (CHEBI:61697)
Synonym  Source
(2S,3S,4S,5R,6S)-6-{[5-(3,5-dihydroxyphenyl)-4-hydroxypentanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidHMDB
Manual XrefsDatabases
HMDB0059973HMDB
Citations