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CHEBI:215776 - (3R)-methyl-7,8-dimethoxy-6-(hydroxymethyl)dihydroisocoumarin

ChEBI IDCHEBI:215776
ChEBI Name(3R)-methyl-7,8-dimethoxy-6-(hydroxymethyl)dihydroisocoumarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCOc1c(CO)cc2c(c1OC)C(=O)O[C@H](C)C2
InChIInChI=1S/C13H16O5/c1-7-4-8-5-9(6-14)11(16-2)12(17-3)10(8)13(15)18-7/h5,7,14H,4,6H2,1-3H3/t7-/m1/s1
InChIKeyCXNQIMXXPWGUDS-SSDOTTSWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1007/s10600-018-2315-1)
ChEBI Ontology
Outgoing Relation(s)
(3R)-methyl-7,8-dimethoxy-6-(hydroxymethyl)dihydroisocoumarin (CHEBI:215776) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-6-(hydroxymethyl)-7,8-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
67173714ChemSpider