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CHEBI:88744 - Dihyroxy-1H-indole glucuronide I

ChEBI IDCHEBI:88744
ChEBI NameDihyroxy-1H-indole glucuronide I
Stars
DownloadsMolfile
FormulaC14H15NO8
Net Charge0
Average Mass325.273
Monoisotopic Mass325.07977
SMILESO=C(O)[C@@H]1O[C@H](Oc2cc3nccc3cc2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H15NO8/c16-7-3-5-1-2-15-6(5)4-8(7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-4,9-12,14-19H,(H,20,21)/t9-,10-,11+,12-,14+/m1/s1
InChIKeyIAHCDPVIVIKDFJ-DIACKHNESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22827565)
ChEBI Ontology
Outgoing Relation(s)
Dihyroxy-1H-indole glucuronide I (CHEBI:88744) is a glucosiduronic acid (CHEBI:24302)
Synonym  Source
(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[(5-hydroxy-1H-indol-6-yl)oxy]oxane-2-carboxylic acidHMDB
Manual XrefsDatabases
HMDB0059997HMDB
Citations