EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181981 - Methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate

ChEBI IDCHEBI:181981
ChEBI NameMethyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O8
Net Charge0
Average Mass352.339
Monoisotopic Mass352.11582
SMILESCOC(=O)C(CC(OC)c1c(O)cc2cc(C)oc(=O)c2c1O)OC
InChIInChI=1S/C17H20O8/c1-8-5-9-6-10(18)14(15(19)13(9)17(21)25-8)11(22-2)7-12(23-3)16(20)24-4/h5-6,11-12,18-19H,7H2,1-4H3
InChIKeyTWSUSRQZTZUYSD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate (CHEBI:181981) is a isocoumarins (CHEBI:38758)
IUPAC Name 
methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate
Manual XrefsDatabases
22943193ChemSpider