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CHEBI:201612 - 6,8-Di-O-methylcitreoisocoumarin

ChEBI IDCHEBI:201612
ChEBI Name6,8-Di-O-methylcitreoisocoumarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O6
Net Charge0
Average Mass306.314
Monoisotopic Mass306.11034
SMILESCOc1cc(OC)c2c(=O)oc(C[C@@H](O)CC(C)=O)cc2c1
InChIInChI=1S/C16H18O6/c1-9(17)4-11(18)7-13-6-10-5-12(20-2)8-14(21-3)15(10)16(19)22-13/h5-6,8,11,18H,4,7H2,1-3H3/t11-/m0/s1
InChIKeyJEVUJHJOJYCWTP-NSHDSACASA-N
ChEBI Ontology
Outgoing Relation(s)
6,8-Di-O-methylcitreoisocoumarin (CHEBI:201612) is a isocoumarins (CHEBI:38758)
IUPAC Name 
3-(2-hydroxy-4-oxopentyl)-6,8-dimethoxyisochromen-1-one
Manual XrefsDatabases
10194996ChemSpider