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CHEBI:88691 - 4-Hydroxy-5-(3',4',5'-trihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide

ChEBI IDCHEBI:88691
ChEBI Name4-Hydroxy-5-(3',4',5'-trihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide
Stars
DownloadsMolfile
FormulaC18H24O13
Net Charge0
Average Mass448.377
Monoisotopic Mass448.12169
SMILESO=C(CCC(O)Cc1cc(O)c(O)c(O)c1)OCO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C18H24O13/c19-8(3-7-4-9(20)12(23)10(21)5-7)1-2-11(22)29-6-30-18-15(26)13(24)14(25)16(31-18)17(27)28/h4-5,8,13-16,18-21,23-26H,1-3,6H2,(H,27,28)/t8?,13-,14-,15+,16-,18+/m0/s1
InChIKeyGDEQVTXLETYPCM-GELMFUDPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22827565)
ChEBI Ontology
Outgoing Relation(s)
4-Hydroxy-5-(3',4',5'-trihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide (CHEBI:88691) is a glucosiduronic acid (CHEBI:24302)
Synonym  Source
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({[4-hydroxy-5-(3,4,5-trihydroxyphenyl)pentanoyl]oxy}methoxy)oxane-2-carboxylic acidHMDB
Manual XrefsDatabases
HMDB0059970HMDB
Citations