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CHEBI:169226 - 6-Hydroxy-5-methoxyindole glucuronide

ChEBI IDCHEBI:169226
ChEBI Name6-Hydroxy-5-methoxyindole glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H17NO8
Net Charge0
Average Mass339.300
Monoisotopic Mass339.09542
SMILESCOc1cc2ccnc2cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H17NO8/c1-22-8-4-6-2-3-16-7(6)5-9(8)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h2-5,10-13,15-19H,1H3,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1
InChIKeyNECCHCPFFUXUOB-DKBOKBLXSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
6-Hydroxy-5-methoxyindole glucuronide (CHEBI:169226) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(5-methoxy-1H-indol-6-yl)oxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0010362HMDB
Beta-D-GlucuronidesMetaCyc
170260ChemSpider
C03033KEGG COMPOUND
Registry NumbersSources
CAS:77463-72-0ChemIDplus