EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:135591 - coumetarol

ChEBI IDCHEBI:135591
ChEBI Namecoumetarol
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC21H16O7
Net Charge0
Average Mass380.352
Monoisotopic Mass380.08960
SMILESCOCC(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C21H16O7/c1-26-10-13(16-18(22)11-6-2-4-8-14(11)27-20(16)24)17-19(23)12-7-3-5-9-15(12)28-21(17)25/h2-9,13,22-23H,10H2,1H3
InChIKeyBUCJFFQZPGTGPX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
coumetarol (CHEBI:135591) is a hydroxycoumarin (CHEBI:37912)
Synonyms  Source
dicoumoxylDrugCentral
dicumoxanDrugCentral
cumetharolDrugCentral
dicumoxaneDrugCentral
cumethoxaethaneDrugCentral
Manual XrefsDatabases
3721DrugCentral
Registry NumbersSources
CAS:4366-18-1DrugCentral