CHEBI:172430 - 1-Methoxy-1H-indole-3-acetonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 1-Methoxy-1H-indole-3-acetonitrile
ChEBI ID CHEBI:172430
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H10N2O
Net Charge 0
Average Mass 186.214
Monoisotopic Mass 186.07931
InChI InChI=1S/C11H10N2O/c1-14-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6H2,1H3
InChIKey LIJIPBYXIXTNLE-UHFFFAOYSA-N
SMILES O(N1C=2C(C(=C1)CC#N)=CC=CC2)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 1-Methoxy-1H-indole-3-acetonitrile (CHEBI:172430) is a indoles (CHEBI:24828)
IUPAC Name
2-(1-methoxyindol-3-yl)acetonitrile
Manual Xrefs Databases
10129174 ChemSpider
HMDB0040973 HMDB
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