CHEBI:67431 - 8-methoxy-9-O-isobutyrylthymol

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ChEBI Name 8-methoxy-9-O-isobutyrylthymol
ChEBI ID CHEBI:67431
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 C15H22O4
Net Charge 0
Average Mass 266.33280
Monoisotopic Mass 266.15181
InChI InChI=1S/C15H22O4/c1-10(2)14(17)19-9-15(4,18-5)12-7-6-11(3)8-13(12)16/h6-8,10,16H,9H2,1-5H3
InChIKey JUQOFHFHZAKXEM-UHFFFAOYSA-N
SMILES COC(C)(COC(=O)C(C)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 8-methoxy-9-O-isobutyrylthymol (CHEBI:67431) has role metabolite (CHEBI:25212)
8-methoxy-9-O-isobutyrylthymol (CHEBI:67431) is a benzyl ether (CHEBI:59859)
Synonym Source
2-(2-Hydroxy-4-methylphenyl)-2-methoxypropyl 2-methylpropanoate 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:toluenes(CHEBI:27024); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:organic heterocyclic compound(CHEBI:24532); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic alcohol(CHEBI:33854);