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CHEBI:69175 - trigohetone, (rel)-

ChEBI IDCHEBI:69175
ChEBI Nametrigohetone, (rel)-
Stars
DefinitionA natural product found in Trigonostemon heterophyllus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILES[H][C@@]1([C@@](C)(O)CC/C=C(\C)C(O)C(=O)C=C(C)C)CCC(C)=CC1=O
InChIInChI=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
InChIKeyMMCHYQXMIUOBDF-IIZIGAGWSA-N
Species of MetaboliteComponentSourceComments
Trigonostemon heterophyllus (IPNI:358015-1) twig (BTO:0001411) PubMed (22122667) 95% EtOH extract of powdered and air-dried twigs
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
trigohetone, (rel)- (CHEBI:69175) has role metabolite (CHEBI:25212)
trigohetone, (rel)- (CHEBI:69175) is a sesquiterpenoid (CHEBI:26658)
Citations