EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175732 - Gancaonin N

ChEBI IDCHEBI:175732
ChEBI NameGancaonin N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O6
Net Charge0
Average Mass368.385
Monoisotopic Mass368.12599
SMILESCOc1ccc(-c2coc3cc(O)c(CC=C(C)C)c(O)c3c2=O)c(O)c1
InChIInChI=1S/C21H20O6/c1-11(2)4-6-14-17(23)9-18-19(20(14)24)21(25)15(10-27-18)13-7-5-12(26-3)8-16(13)22/h4-5,7-10,22-24H,6H2,1-3H3
InChIKeySTFVTZQCNYBLNE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Gancaonin N (CHEBI:175732) is a isoflavanones (CHEBI:38741)
IUPAC Name 
5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
Manual XrefsDatabases
LMPK12050297LIPID MAPS
10211355ChemSpider
HMDB0038528HMDB