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CHEBI:66718 - Paeonilide

ChEBI IDCHEBI:66718
ChEBI NamePaeonilide
Stars
DefinitionA natural product found in Paeonia delavayi.
Last Modified22 September 2014
DownloadsMolfile
FormulaC17H18O6
Net Charge0
Average Mass318.325
Monoisotopic Mass318.11034
SMILES[H][C@]12CC(=O)O[C@@]1(CC(C)=O)OC[C@@H]2COC(=O)c1ccccc1
InChIInChI=1S/C17H18O6/c1-11(18)8-17-14(7-15(19)23-17)13(10-22-17)9-21-16(20)12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3/t13-,14+,17+/m0/s1
InChIKeyKPLJENFVVZWBMN-JJRVBVJISA-N
Species of MetaboliteComponentSourceComments
Paeonia delavayi (ncbitaxon:40707) root (BTO:0001188) PubMed (10945272)
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)
Paeonilide (CHEBI:66718) has role metabolite (CHEBI:25212)
Paeonilide (CHEBI:66718) is a benzoate ester (CHEBI:36054)
Synonym  Source
[(3R,3aR,6aR)-5-Oxo-6a-(2-oxopropyl)hexahydrofuro[2,3-b]furan-3-yl]methyl benzoate, rel-(+)-ChEBI
Citations