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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide
ChEBI ID CHEBI:149595
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C17H22O10
Net Charge 0
Average Mass 386.353
Monoisotopic Mass 386.12130
InChI InChI=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
InChIKey KYHIBHBAGIIQOF-KSXIZUIISA-N
SMILES C=1(C=C(C=C(C1)O)CCCCC(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)=O)O
ChEBI Ontology
Outgoing 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) has functional parent 5-(3,4-dihydroxyphenyl)pentanoic acid (CHEBI:137503)
5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide (CHEBI:149595) is a catechols (CHEBI:33566)