EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227406 - 1-hydroxy-4,7-dimethoxy-6-(3-oxobutyl)-9H-xanthen-9-one

ChEBI IDCHEBI:227406
ChEBI Name1-hydroxy-4,7-dimethoxy-6-(3-oxobutyl)-9H-xanthen-9-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18O6
Net Charge0
Average Mass342.347
Monoisotopic Mass342.11034
SMILESCOc1cc2c(=O)c3c(O)ccc(OC)c3oc2cc1CCC(C)=O
InChIInChI=1S/C19H18O6/c1-10(20)4-5-11-8-16-12(9-15(11)24-3)18(22)17-13(21)6-7-14(23-2)19(17)25-16/h6-9,21H,4-5H2,1-3H3
InChIKeyLOXWKQQECPUMHU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-hydroxy-4,7-dimethoxy-6-(3-oxobutyl)-9H-xanthen-9-one (CHEBI:227406) is a xanthones (CHEBI:51149)
IUPAC Name 
1-hydroxy-4,7-dimethoxy-6-(3-oxobutyl)xanthen-9-one
Manual XrefsDatabases
26949197ChemSpider