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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one

ChEBI ID	CHEBI:169629

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H8N2O2

Net Charge

Average Mass

188.186

Monoisotopic Mass

188.05858

InChI

InChI=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)

InChIKey

IXOBWMNTICTXOJ-UHFFFAOYSA-N

SMILES

OC1(C=2C(NC1=O)=CC=CC2)CC#N

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	(-)-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