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CHEBI:67433 - 10-acetoxy-8-hydroxy-9-O-angeloylthmol

ChEBI IDCHEBI:67433
ChEBI Name10-acetoxy-8-hydroxy-9-O-angeloylthmol
Stars
DefinitionA natural product found in Eupatorium cannabinum subspecies asiaticum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC17H22O6
Net Charge0
Average Mass322.357
Monoisotopic Mass322.14164
SMILESC/C=C(/C)C(=O)OCC(O)(COC(C)=O)c1ccc(C)cc1O
InChIInChI=1S/C17H22O6/c1-5-12(3)16(20)23-10-17(21,9-22-13(4)18)14-7-6-11(2)8-15(14)19/h5-8,19,21H,9-10H2,1-4H3/b12-5-
InChIKeyQFYNDCRFXVUINR-XGICHPGQSA-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)
10-acetoxy-8-hydroxy-9-O-angeloylthmol (CHEBI:67433) has role metabolite (CHEBI:25212)
10-acetoxy-8-hydroxy-9-O-angeloylthmol (CHEBI:67433) is a hydroxytoluene (CHEBI:24751)
Synonym  Source
3-Acetoxy-2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl (2Z)-2-methyl-2-butenoateChEBI
Citations