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CHEBI:88704 - 4-Hydroxy-5-(phenyl)-valeric acid-O-glucuronide

ChEBI IDCHEBI:88704
ChEBI Name4-Hydroxy-5-(phenyl)-valeric acid-O-glucuronide
Stars
DownloadsMolfile
FormulaC17H22O9
Net Charge0
Average Mass370.354
Monoisotopic Mass370.12638
SMILESO=C(CCC(O)Cc1ccccc1)OC1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C17H22O9/c18-10(8-9-4-2-1-3-5-9)6-7-11(19)25-17-14(22)12(20)13(21)15(26-17)16(23)24/h1-5,10,12-15,17-18,20-22H,6-8H2,(H,23,24)/t10?,12-,13-,14+,15-,17?/m1/s1
InChIKeyIMTGYVWDOAJQQP-UFZVYEDBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22827565)
ChEBI Ontology
Outgoing Relation(s)
4-Hydroxy-5-(phenyl)-valeric acid-O-glucuronide (CHEBI:88704) is a O-acyl carbohydrate (CHEBI:52782)
4-Hydroxy-5-(phenyl)-valeric acid-O-glucuronide (CHEBI:88704) is a fatty acid derivative (CHEBI:61697)
Synonym  Source
(2R,3R,4R,5S)-3,4,5-trihydroxy-6-[(4-hydroxy-5-phenylpentanoyl)oxy]oxane-2-carboxylic acidHMDB
Manual XrefsDatabases
HMDB0059980HMDB
Citations