1,3,5-Bisabolatrien-10-one (CHEBI:191438)

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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	1,3,5-Bisabolatrien-10-one

ChEBI ID	CHEBI:191438

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O

Net Charge

Average Mass

218.340

Monoisotopic Mass

218.16707

InChI

InChI=1S/C15H22O/c1-11(2)15(16)10-7-13(4)14-8-5-12(3)6-9-14/h5-6,8-9,11,13H,7,10H2,1-4H3

InChIKey

UWAKTEDKARQVDV-UHFFFAOYSA-N

SMILES

O=C(CCC(C1=CC=C(C=C1)C)C)C(C)C

Metabolite of Species	Details
Solanum tuberosum (NCBI:txid4113)	Found in leaf (BTO:0000713). See: MetaboLights Study

ChEBI Ontology
Outgoing	1,3,5-Bisabolatrien-10-one (CHEBI:191438) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name

2-methyl-6-(4-methylphenyl)heptan-3-one