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CHEBI:212191 - (3S)-6-hydroxy-8-methoxy-3-methyl-3,4-dihydroisocoumarin

ChEBI IDCHEBI:212191
ChEBI Name(3S)-6-hydroxy-8-methoxy-3-methyl-3,4-dihydroisocoumarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O4
Net Charge0
Average Mass208.213
Monoisotopic Mass208.07356
SMILESCOc1cc(O)cc2c1C(=O)O[C@@H](C)C2
InChIInChI=1S/C11H12O4/c1-6-3-7-4-8(12)5-9(14-2)10(7)11(13)15-6/h4-6,12H,3H2,1-2H3/t6-/m0/s1
InChIKeyWGUHOBJSLARYHD-LURJTMIESA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/j.phytol.2015.06.003)
ChEBI Ontology
Outgoing Relation(s)
(3S)-6-hydroxy-8-methoxy-3-methyl-3,4-dihydroisocoumarin (CHEBI:212191) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3S)-6-hydroxy-8-methoxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
75241548ChemSpider