CHEBI:89553 - trans-isoeugenol-O-glucuronide

ChEBI IDCHEBI:89553
ChEBI Nametrans-isoeugenol-O-glucuronide
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FormulaC16H20O8
Net Charge0
Average Mass340.328
Monoisotopic Mass340.11582
SMILESC/C=C/c1ccc(OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
InChIInChI=1S/C16H20O8/c1-3-4-8-5-6-9(10(7-8)22-2)23-16-13(19)11(17)12(18)14(24-16)15(20)21/h3-7,11-14,16-19H,1-2H3,(H,20,21)/b4-3+/t11-,12-,13+,14-,16?/m0/s1
InChIKeyHBQGHTRBYUFZLV-MIJQFFSFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22827565)
ChEBI Ontology
Outgoing Relation(s)
trans-isoeugenol-O-glucuronide (CHEBI:89553) is a glucosiduronic acid (CHEBI:24302)
Synonym  Source
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}oxane-2-carboxylic acidHMDB
Manual XrefsDatabases
HMDB0060021HMDB
Citations