EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175798 - Comosin

ChEBI IDCHEBI:175798
ChEBI NameComosin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18O8
Net Charge0
Average Mass374.345
Monoisotopic Mass374.10017
SMILESCOc1ccc(C2(COC(C)=O)COc3cc(O)cc(O)c3C2=O)cc1O
InChIInChI=1S/C19H18O8/c1-10(20)26-8-19(11-3-4-15(25-2)13(22)5-11)9-27-16-7-12(21)6-14(23)17(16)18(19)24/h3-7,21-23H,8-9H2,1-2H3
InChIKeyIOLHWMMZYCBLRD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Comosin (CHEBI:175798) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
[5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-oxo-2H-chromen-3-yl]methyl acetate
Manual XrefsDatabases
HMDB0033254HMDB
10290019ChemSpider