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CHEBI:169784 - Dehydroisochalciporone

ChEBI IDCHEBI:169784
ChEBI NameDehydroisochalciporone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19NO
Net Charge0
Average Mass241.334
Monoisotopic Mass241.14666
SMILESCCC(=O)/C=C\C=C\C=C/C1=NC(C)C=CC=C1
InChIInChI=1S/C16H19NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h4-14H,3H2,1-2H3/b5-4+,11-6-,13-7-
InChIKeyWJIGOTVFVWHJRY-BYWROCKKSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Dehydroisochalciporone (CHEBI:169784) is a azepine (CHEBI:48105)
IUPAC Name 
(4Z,6E,8Z)-9-(2-methyl-2H-azepin-7-yl)nona-4,6,8-trien-3-one
Manual XrefsDatabases
HMDB0033527HMDB
35013623ChemSpider