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CHEBI:67422 - 9-(3-methylbutanoyl)-8,10-dehydrothymol

ChEBI IDCHEBI:67422
ChEBI Name9-(3-methylbutanoyl)-8,10-dehydrothymol
Stars
DefinitionA natural product found in Eupatorium cannabinum subspecies asiaticum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESC=C(COC(=O)CC(C)C)c1ccc(C)cc1O
InChIInChI=1S/C15H20O3/c1-10(2)7-15(17)18-9-12(4)13-6-5-11(3)8-14(13)16/h5-6,8,10,16H,4,7,9H2,1-3H3
InChIKeyIYXKURCVMVQNOD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Eupatorium cannabinum subsp. asiaticum (ncbitaxon:102770) aerial part (BTO:0001658) PubMed (21391659) MeOH extract of shade-dried, pulverized aerial parts
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)
9-(3-methylbutanoyl)-8,10-dehydrothymol (CHEBI:67422) has role metabolite (CHEBI:25212)
9-(3-methylbutanoyl)-8,10-dehydrothymol (CHEBI:67422) is a olefinic compound (CHEBI:78840)
Synonym  Source
2-(2-hydroxy-4-methylphenyl)allyl 3-methylbutanoateChEBI
Citations