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CHEBI:187737 - Chalciporone

ChEBI IDCHEBI:187737
ChEBI NameChalciporone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21NO
Net Charge0
Average Mass243.350
Monoisotopic Mass243.16231
SMILESCCC(=O)CC/C=C/C=C/C1=NC(C)C=CC=C1
InChIInChI=1S/C16H21NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h4-6,8-12,14H,3,7,13H2,1-2H3/b5-4+,11-6+
InChIKeyYHYHJUHRELVMJW-LJIKRCSCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Chalciporone (CHEBI:187737) is a azepine (CHEBI:48105)
IUPAC Name 
(6E,8E)-9-(2-methyl-2H-azepin-7-yl)nona-6,8-dien-3-one
Manual XrefsDatabases
10312222ChemSpider