CHEBI:193445 - Helicallenal

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Helicallenal
ChEBI ID CHEBI:193445
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O
Net Charge 0
Average Mass 286.459
Monoisotopic Mass 286.22967
InChI InChI=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+
InChIKey SOXVEHBWUOFNNT-NFZAWOQKSA-N
SMILES O=C\C(=C\CC\C(=C\C\C=C(\C1CCC(=CC1)C)/C)\C)\C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
24846763 ChemSpider
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