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CHEBI:171896 - cis-Quinceoxepane

ChEBI IDCHEBI:171896
ChEBI Namecis-Quinceoxepane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O
Net Charge0
Average Mass180.291
Monoisotopic Mass180.15142
SMILESC=C(C)/C=C\C1CC(C)CCCO1
InChIInChI=1S/C12H20O/c1-10(2)6-7-12-9-11(3)5-4-8-13-12/h6-7,11-12H,1,4-5,8-9H2,2-3H3/b7-6-
InChIKeyRLBHQLPVVYXAQJ-SREVYHEPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
cis-Quinceoxepane (CHEBI:171896) is a oxacycle (CHEBI:38104)
IUPAC Name 
4-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]oxepane
Manual XrefsDatabases
HMDB0038108HMDB
35014508ChemSpider