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CHEBI:191654 - 9-(Methylthio)nonanenitrile

Default Structure
ChEBI IDCHEBI:191654
ChEBI Name9-(Methylthio)nonanenitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H19NS
Net Charge0
Average Mass185.336
Monoisotopic Mass185.12382
SMILESCSCCCCCCCCC#N
InChIInChI=1S/C10H19NS/c1-12-10-8-6-4-2-3-5-7-9-11/h2-8,10H2,1H3
InChIKeyKQKRRHTVZQEXBX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
9-(Methylthio)nonanenitrile (CHEBI:191654) is a nitrile (CHEBI:18379)
IUPAC Name 
9-methylsulanylnonanenitrile
Manual XrefsDatabases
84825ChemSpider
HMDB0038437HMDB
Registry NumbersSources
CAS:58214-94-1ChemIDplus