EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:181516 - 4,8-Dihydroxy-6-methoxy-3-methyl-3,4-dihydro-1h-isochromen-1-one

ChEBI IDCHEBI:181516
ChEBI Name4,8-Dihydroxy-6-methoxy-3-methyl-3,4-dihydro-1h-isochromen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESCOc1cc(O)c2c(c1)C(O)C(C)OC2=O
InChIInChI=1S/C11H12O5/c1-5-10(13)7-3-6(15-2)4-8(12)9(7)11(14)16-5/h3-5,10,12-13H,1-2H3
InChIKeyMJPSOCVCUXUXLP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4,8-Dihydroxy-6-methoxy-3-methyl-3,4-dihydro-1h-isochromen-1-one (CHEBI:181516) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
24022608ChemSpider