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CHEBI:67423 - Eupatobenzofuran, (rel)-

ChEBI IDCHEBI:67423
ChEBI NameEupatobenzofuran, (rel)-
Stars
DefinitionA natural product found in Eupatorium cannabinum subspecies asiaticum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC15H18O4
Net Charge0
Average Mass262.305
Monoisotopic Mass262.12051
SMILESC/C=C(/C)C(=O)O[C@@H]1Oc2cc(C)ccc2[C@@]1(C)O
InChIInChI=1S/C15H18O4/c1-5-10(3)13(16)19-14-15(4,17)11-7-6-9(2)8-12(11)18-14/h5-8,14,17H,1-4H3/b10-5-/t14-,15+/m0/s1
InChIKeyQBRJXXZJFOHOGJ-KJUPGIGJSA-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)
Eupatobenzofuran, (rel)- (CHEBI:67423) has role metabolite (CHEBI:25212)
Eupatobenzofuran, (rel)- (CHEBI:67423) is a benzofurans (CHEBI:35259)
Synonym  Source
rel-(Z)-[(2S,3R)-3-Hydroxy-3,6-dimethyl-2,3-dihydrobenzofuran-2-yl]2-methylbut-2-enoateChEBI
Citations