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CHEBI:89622 - Indole-3-acetic-acid-O-glucuronide

ChEBI IDCHEBI:89622
ChEBI NameIndole-3-acetic-acid-O-glucuronide
Stars
DownloadsMolfile
FormulaC16H17NO8
Net Charge0
Average Mass351.311
Monoisotopic Mass351.09542
SMILESO=C(Cc1cnc2ccccc12)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H17NO8/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-13(21)11(19)12(20)14(25-16)15(22)23/h1-4,6,11-14,16-17,19-21H,5H2,(H,22,23)/t11-,12-,13+,14-,16+/m0/s1
InChIKeyBPTLUNCVRGWZSW-JHZZJYKESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22827565)
ChEBI Ontology
Outgoing Relation(s)
Indole-3-acetic-acid-O-glucuronide (CHEBI:89622) is a glucosiduronic acid (CHEBI:24302)
Synonym  Source
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[2-(1H-indol-3-yl)acetyl]oxy}oxane-2-carboxylic acidHMDB
Manual XrefsDatabases
HMDB0060001HMDB
Citations