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CHEBI:67768 - (R)-3-Acetyl-7-hydroxy-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one

ChEBI IDCHEBI:67768
ChEBI Name(R)-3-Acetyl-7-hydroxy-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one
Stars
DefinitionA natural product found in Leptosphaeria species and Halorosellinia oceanica.
Last Modified22 September 2014
DownloadsMolfile
FormulaC13H14O5
Net Charge0
Average Mass250.250
Monoisotopic Mass250.08412
SMILESCOc1cc(O)c2c(c1C)[C@](C)(C(C)=O)OC2=O
InChIInChI=1S/C13H14O5/c1-6-9(17-4)5-8(15)10-11(6)13(3,7(2)14)18-12(10)16/h5,15H,1-4H3/t13-/m0/s1
InChIKeyMSFOCQWGXBBMOV-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Leptospeciesaeria (ncbitaxon:5021) - PubMed (21265556) Ethylacetate extract of culture broth Strain: KTC 727
Halorosellinia oceanica (ncbitaxon:190947) - PubMed (21265556)
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)
(R)-3-Acetyl-7-hydroxy-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one (CHEBI:67768) has role metabolite (CHEBI:25212)
(R)-3-Acetyl-7-hydroxy-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one (CHEBI:67768) is a 2-benzofurans (CHEBI:38831)
Citations