trigohetone, (rel)- (CHEBI:69175)

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ChEBI Name	trigohetone, (rel)-

ChEBI ID	CHEBI:69175

Definition	A natural product found in Trigonostemon heterophyllus.

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

Supplier Information

Download	Molfile XML SDF

Formula

C20H30O4

Net Charge

Average Mass

334.44980

Monoisotopic Mass

334.21441

InChI

InChI=1S/C20H30O4/c1-13(2)11-18(22)19(23)15(4)7-6-10-20(5,24)16-9-8-14(3)12-17(16)21/h7,11-12,16,19,23-24H,6,8-10H2,1-5H3/b15-7+/t16-,19?,20+/m1/s1

InChIKey

MMCHYQXMIUOBDF-IIZIGAGWSA-N

SMILES

[H][C@]1(CCC(C)=CC1=O)[C@@](C)(O)CC\C=C(/C)C(O)C(=O)C=C(C)C

Metabolite of Species	Details
Trigonostemon heterophyllus (IPNI:358015-1)	Found in twig (BTO:0001411). 95% EtOH extract of powdered and air-dried twigs See: PubMed

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	trigohetone, (rel)- (CHEBI:69175) has role metabolite (CHEBI:25212) trigohetone, (rel)- (CHEBI:69175) is a sesquiterpenoid (CHEBI:26658)

Citation	Type	Source
22122667	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:aliphatic alcohol(CHEBI:2571); ISA:Acyloin(CHEBI:2468); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:enol ether(CHEBI:47985); ISA:ketone(CHEBI:17087); ISA:olefinic compound(CHEBI:78840); HFP:acrylic acid(CHEBI:18308); ISA:cyclic ketone(CHEBI:3992); ISA:secondary alcohol(CHEBI:35681); ISA:organonitrogen compound(CHEBI:35352);