EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:196629 - Digicitrin

ChEBI IDCHEBI:196629
ChEBI NameDigicitrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILESCOc1cc(-c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2OC)cc(O)c1OC
InChIInChI=1S/C21H22O10/c1-25-11-8-9(7-10(22)16(11)26-2)15-18(27-3)13(23)12-14(24)19(28-4)21(30-6)20(29-5)17(12)31-15/h7-8,22,24H,1-6H3
InChIKeyGIEYELPGDHOPHM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Digicitrin (CHEBI:196629) is a ether (CHEBI:25698)
Digicitrin (CHEBI:196629) is a flavonoids (CHEBI:72544)
IUPAC Name 
5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one
Manual XrefsDatabases
LMPK12113366LIPID MAPS
8247104ChemSpider