EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175516 - Gancaonin M

ChEBI IDCHEBI:175516
ChEBI NameGancaonin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O5
Net Charge0
Average Mass352.386
Monoisotopic Mass352.13107
SMILESCOc1ccc(-c2coc3c(CC=C(C)C)c(O)cc(O)c3c2=O)cc1
InChIInChI=1S/C21H20O5/c1-12(2)4-9-15-17(22)10-18(23)19-20(24)16(11-26-21(15)19)13-5-7-14(25-3)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3
InChIKeyDDLPIQXHEKZHQX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Gancaonin M (CHEBI:175516) is a methoxyisoflavone (CHEBI:38756)
IUPAC Name 
5,7-dihydroxy-3-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Manual XrefsDatabases
10211354ChemSpider
HMDB0038903HMDB
LMPK12050226LIPID MAPS