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CHEBI:149595 - 5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide

ChEBI IDCHEBI:149595
ChEBI Name5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide
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FormulaC17H22O10
Net Charge0
Average Mass386.353
Monoisotopic Mass386.12130
SMILESO=C(CCCCc1cc(O)cc(O)c1)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C17H22O10/c18-9-5-8(6-10(19)7-9)3-1-2-4-11(20)26-17-14(23)12(21)13(22)15(27-17)16(24)25/h5-7,12-15,17-19,21-23H,1-4H2,(H,24,25)/t12-,13-,14+,15-,17+/m0/s1
InChIKeyKYHIBHBAGIIQOF-KSXIZUIISA-N
ChEBI Ontology
Outgoing Relation(s)
5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide (CHEBI:149595) has functional parent 5-(3,4-dihydroxyphenyl)pentanoic acid (CHEBI:137503)
5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide (CHEBI:149595) has functional parent β-D-glucuronic acid (CHEBI:28860)
5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide (CHEBI:149595) is a catechols (CHEBI:33566)