(-)-pinidinone (CHEBI:68004)

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ChEBI Name	(-)-pinidinone

ChEBI ID	CHEBI:68004

Definition	A natural product found in Pinus species and Picea species.

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

Supplier Information

Download	Molfile XML SDF

Formula

C9H17NO

Net Charge

Average Mass

155.23740

Monoisotopic Mass

155.13101

InChI

InChI=1S/C9H17NO/c1-7-4-3-5-9(10-7)6-8(2)11/h7,9-10H,3-6H2,1-2H3/t7-,9-/m1/s1

InChIKey

PLVQSRXCDPEDHN-VXNVDRBHSA-N

SMILES

C[C@@H]1CCC[C@H](CC(C)=O)N1

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	(-)-pinidinone (CHEBI:68004) has role metabolite (CHEBI:25212) (-)-pinidinone (CHEBI:68004) is a citraconoyl group (CHEBI:23315)

Synonym	Source
1-[(2R,6R)-6-methylpiperidin-2-yl]propan-2-one	ChEBI

Citation	Type	Source
21410219	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:piperidines(CHEBI:26151); ISA:ketone(CHEBI:17087); ISA:organic amino compound(CHEBI:50047); ISA:secondary amino compound(CHEBI:50995);