EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:185289 - (S)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-glucoside

ChEBI IDCHEBI:185289
ChEBI Name(S)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19NO10
Net Charge0
Average Mass385.325
Monoisotopic Mass385.10090
SMILESO=C(O)CC1(O)C(=O)Nc2ccc(OC3OC(CO)C(O)C(O)C3O)cc21
InChIInChI=1S/C16H19NO10/c18-5-9-11(21)12(22)13(23)14(27-9)26-6-1-2-8-7(3-6)16(25,4-10(19)20)15(24)17-8/h1-3,9,11-14,18,21-23,25H,4-5H2,(H,17,24)(H,19,20)
InChIKeyKZKDOIBDOJKQAC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(S)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-glucoside (CHEBI:185289) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[3-hydroxy-2-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetic acid
Manual XrefsDatabases
HMDB0034674HMDB