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CHEBI:189908 - 7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one

Default Structure
ChEBI IDCHEBI:189908
ChEBI Name7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H15NO
Net Charge0
Average Mass177.247
Monoisotopic Mass177.11536
SMILESCCC1CC2=C(NCCC=C2)C1=O
InChIInChI=1S/C11H15NO/c1-2-8-7-9-5-3-4-6-12-10(9)11(8)13/h3,5,8,12H,2,4,6-7H2,1H3
InChIKeyPESXRLFXJXVCHS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one (CHEBI:189908) is a azepine (CHEBI:48105)
IUPAC Name 
7-ethyl-2,3,6,7-tetrahydro-1H-cyclopenta[b]azepin-8-one
Manual XrefsDatabases
35014850ChemSpider
HMDB0039664HMDB