EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:108403 - 6-[1-azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone

ChEBI IDCHEBI:108403
ChEBI Name6-[1-azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone
Stars
DownloadsMolfile
FormulaC13H17NOS
Net Charge0
Average Mass235.352
Monoisotopic Mass235.10309
SMILESO=C1C=CC=CC1=C(S)N1CCCCCC1
InChIInChI=1S/C13H17NOS/c15-12-8-4-3-7-11(12)13(16)14-9-5-1-2-6-10-14/h3-4,7-8,16H,1-2,5-6,9-10H2
InChIKeySMVZGFBFHRJRCM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-[1-azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone (CHEBI:108403) is a quinomethanes (CHEBI:52404)
Manual XrefsDatabases
LSM-19779LINCS