EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220210 - 3-acetoxymethyl-6,8-dimethoxycoumarin

ChEBI IDCHEBI:220210
ChEBI Name3-acetoxymethyl-6,8-dimethoxycoumarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O6
Net Charge0
Average Mass278.260
Monoisotopic Mass278.07904
SMILESCOc1cc(OC)c2oc(=O)c(COC(C)=O)cc2c1
InChIInChI=1S/C14H14O6/c1-8(15)19-7-10-4-9-5-11(17-2)6-12(18-3)13(9)20-14(10)16/h4-6H,7H2,1-3H3
InChIKeyYGGLDHBOJBUAPL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27399340)
ChEBI Ontology
Outgoing Relation(s)
3-acetoxymethyl-6,8-dimethoxycoumarin (CHEBI:220210) is a coumarins (CHEBI:23403)
IUPAC Name 
(6,8-dimethoxy-2-oxochromen-3-yl)methyl acetate
Manual XrefsDatabases
78435305ChemSpider