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CHEBI:169629 - (-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one

ChEBI IDCHEBI:169629
ChEBI Name(-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H8N2O2
Net Charge0
Average Mass188.186
Monoisotopic Mass188.05858
SMILESN#CCC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C10H8N2O2/c11-6-5-10(14)7-3-1-2-4-8(7)12-9(10)13/h1-4,14H,5H2,(H,12,13)
InChIKeyIXOBWMNTICTXOJ-UHFFFAOYSA-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)
(-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one (CHEBI:169629) is a indoles (CHEBI:24828)
IUPAC Name 
2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile
Manual XrefsDatabases
9833148ChemSpider
HMDB0038633HMDB