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CHEBI:193445 - Helicallenal

ChEBI IDCHEBI:193445
ChEBI NameHelicallenal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O
Net Charge0
Average Mass286.459
Monoisotopic Mass286.22967
SMILESCC1=CCC(/C(C)=C/C/C=C(\C)CC/C=C(\C)C=O)CC1
InChIInChI=1S/C20H30O/c1-16(7-5-9-18(3)15-21)8-6-10-19(4)20-13-11-17(2)12-14-20/h8-11,15,20H,5-7,12-14H2,1-4H3/b16-8+,18-9+,19-10+
InChIKeySOXVEHBWUOFNNT-NFZAWOQKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Helicallenal (CHEBI:193445) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2E,6E,9E)-2,6-dimethyl-10-(4-methylcyclohex-3-en-1-yl)undeca-2,6,9-trienal
Manual XrefsDatabases
24846763ChemSpider