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CHEBI:191668 - Quinceoxepine

Default Structure
ChEBI IDCHEBI:191668
ChEBI NameQuinceoxepine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O
Net Charge0
Average Mass178.275
Monoisotopic Mass178.13577
SMILESC=C(C)/C=C\C1CC(C)=CCCO1
InChIInChI=1S/C12H18O/c1-10(2)6-7-12-9-11(3)5-4-8-13-12/h5-7,12H,1,4,8-9H2,2-3H3/b7-6-
InChIKeyJEUOOEBZKFVZGG-SREVYHEPSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Quinceoxepine (CHEBI:191668) is a ether (CHEBI:25698)
IUPAC Name 
4-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,6,7-tetrahydrooxepine
Manual XrefsDatabases
35014507ChemSpider
HMDB0038107HMDB