EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174243 - 3-Hydroxy-8,9-dimethoxycoumestan

ChEBI IDCHEBI:174243
ChEBI Name3-Hydroxy-8,9-dimethoxycoumestan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H12O6
Net Charge0
Average Mass312.277
Monoisotopic Mass312.06339
SMILESCOc1cc2oc3c4ccc(O)cc4oc(=O)c3c2cc1OC
InChIInChI=1S/C17H12O6/c1-20-13-6-10-12(7-14(13)21-2)22-16-9-4-3-8(18)5-11(9)23-17(19)15(10)16/h3-7,18H,1-2H3
InChIKeyPKLPURDVDNBFCI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxy-8,9-dimethoxycoumestan (CHEBI:174243) is a coumestans (CHEBI:72577)
IUPAC Name 
3-hydroxy-8,9-dimethoxy-[1]benzouro[3,2-c]chromen-6-one
Manual XrefsDatabases
LMPK12090028LIPID MAPS
4678016ChemSpider
HMDB0030561HMDB
Registry NumbersSources
CAS:5252-40-4ChemIDplus