EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174679 - 9-O-Methylcoumestrol

Default Structure
ChEBI IDCHEBI:174679
ChEBI Name9-O-Methylcoumestrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H10O5
Net Charge0
Average Mass282.251
Monoisotopic Mass282.05282
SMILESCOc1ccc2c(c1)oc1c3ccc(O)cc3oc(=O)c21
InChIInChI=1S/C16H10O5/c1-19-9-3-5-10-13(7-9)20-15-11-4-2-8(17)6-12(11)21-16(18)14(10)15/h2-7,17H,1H3
InChIKeyHHEZPZWGHDOWCQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
9-O-Methylcoumestrol (CHEBI:174679) is a coumestans (CHEBI:72577)
IUPAC Name 
3-hydroxy-9-methoxy-[1]benzouro[3,2-c]chromen-6-one
Manual XrefsDatabases
4477838ChemSpider
HMDB0033588HMDB
LMPK12090019LIPID MAPS
Registry NumbersSources
CAS:1690-62-6ChemIDplus