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CHEBI:215781 - (3R)-methyl-8-hydroxy-6-(hydroxymethyl)-7-methoxydihydroisocoumarin

ChEBI IDCHEBI:215781
ChEBI Name(3R)-methyl-8-hydroxy-6-(hydroxymethyl)-7-methoxydihydroisocoumarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O5
Net Charge0
Average Mass238.239
Monoisotopic Mass238.08412
SMILESCOc1c(CO)cc2c(c1O)C(=O)O[C@H](C)C2
InChIInChI=1S/C12H14O5/c1-6-3-7-4-8(5-13)11(16-2)10(14)9(7)12(15)17-6/h4,6,13-14H,3,5H2,1-2H3/t6-/m1/s1
InChIKeyKXNWKBSCXOJXMN-ZCFIWIBFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1007/s10600-018-2315-1)
ChEBI Ontology
Outgoing Relation(s)
(3R)-methyl-8-hydroxy-6-(hydroxymethyl)-7-methoxydihydroisocoumarin (CHEBI:215781) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-8-hydroxy-6-(hydroxymethyl)-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
67173461ChemSpider