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CHEBI:69697 - 1-(3,9-Dihydroxy-1,3-dihydrobenzo[c]oxepin-3-yl)ethanone, (rac)-

ChEBI IDCHEBI:69697
ChEBI Name1-(3,9-Dihydroxy-1,3-dihydrobenzo[c]oxepin-3-yl)ethanone, (rac)-
Stars
DefinitionA natural product found in Pestalotiopsis virgatula.
Last Modified22 September 2014
DownloadsMolfile
FormulaC12H12O4
Net Charge0
Average Mass220.224
Monoisotopic Mass220.07356
SMILESCC(=O)C1(O)C=Cc2cccc(O)c2CO1
InChIInChI=1S/C12H12O4/c1-8(13)12(15)6-5-9-3-2-4-11(14)10(9)7-16-12/h2-6,14-15H,7H2,1H3
InChIKeyKBJPQCHSYKRGBW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis virgatula (ncbitaxon:290289) mycelium (BTO:0001436) PubMed (21942847) Endophytic fungus derived from the plant Terminalia chebula.
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)
1-(3,9-Dihydroxy-1,3-dihydrobenzo[c]oxepin-3-yl)ethanone, (rac)- (CHEBI:69697) has role metabolite (CHEBI:25212)
1-(3,9-Dihydroxy-1,3-dihydrobenzo[c]oxepin-3-yl)ethanone, (rac)- (CHEBI:69697) is a oxacycle (CHEBI:38104)
Citations