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

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ChEBI Name 9-(3-methylbutanoyl)-8,10-dehydrothymol
ChEBI ID CHEBI:67422
Definition A natural product found in Eupatorium cannabinum subspecies asiaticum.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H20O3
Net Charge 0
Average Mass 248.31750
Monoisotopic Mass 248.14124
InChI InChI=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
InChIKey IYXKURCVMVQNOD-UHFFFAOYSA-N
SMILES CC(C)CC(=O)OCC(=C)c1ccc(C)cc1O
Metabolite of Species Details
Eupatorium cannabinum subsp. asiaticum (NCBI:txid102770) Found in aerial part (BTO:0001658). MeOH extract of shade-dried, pulverized aerial parts 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-methylbutanoate ChEBI
Citation Waiting for Citations Type Source
21391659 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:hydroxytoluene(CHEBI:24751); ISA:styrenes(CHEBI:26799); ISA:toluenes(CHEBI:27024); ISA:fatty acid ester(CHEBI:35748); ISA:carboxylic ester(CHEBI:33308); ISA:organic heterocyclic compound(CHEBI:24532); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic alcohol(CHEBI:33854);