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CHEBI:67766 - (R)-7-Hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one

ChEBI IDCHEBI:67766
ChEBI Name(R)-7-Hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one
Stars
DefinitionA natural product found in Leptosphaeria species.
Last Modified22 September 2014
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCOc1cc(O)c2c(c1C)[C@](C)([C@H](C)O)OC2=O
InChIInChI=1S/C13H16O5/c1-6-9(17-4)5-8(15)10-11(6)13(3,7(2)14)18-12(10)16/h5,7,14-15H,1-4H3/t7-,13-/m0/s1
InChIKeyYKQYIQHWWYVPHK-CPFSXVBKSA-N
Species of MetaboliteComponentSourceComments
Leptospeciesaeria (ncbitaxon:5021) - PubMed (21265556) Ethylacetate extract of culture broth Strain: KTC 727
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)-7-Hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one (CHEBI:67766) has role metabolite (CHEBI:25212)
(R)-7-Hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one (CHEBI:67766) is a 2-benzofurans (CHEBI:38831)
Citations