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CHEBI:210851 - 4-isochromanone

ChEBI IDCHEBI:210851
ChEBI Name4-isochromanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O4
Net Charge0
Average Mass208.213
Monoisotopic Mass208.07356
SMILESCOc1ccc2c(c1O)CO[C@@H](C)C2=O
InChIInChI=1S/C11H12O4/c1-6-10(12)7-3-4-9(14-2)11(13)8(7)5-15-6/h3-4,6,13H,5H2,1-2H3/t6-/m0/s1
InChIKeyJEIXQVSXGQIXPF-LURJTMIESA-N
Species of MetaboliteComponentSourceComments
Nemania (ncbitaxon:109374) - DOI (10.1016/j.tet.2017.05.030)
ChEBI Ontology
Outgoing Relation(s)
4-isochromanone (CHEBI:210851) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
8-hydroxy-7-methoxy-3-methyl-1H-isochromen-4-one
Manual XrefsDatabases
28644941ChemSpider