EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:180421 - 5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone

ChEBI IDCHEBI:180421
ChEBI Name5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16O9
Net Charge0
Average Mass376.317
Monoisotopic Mass376.07943
SMILESCOc1cc(O)c(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1O
InChIInChI=1S/C18H16O9/c1-24-11-5-8(19)7(4-9(11)20)16-18(26-3)15(23)13-12(27-16)6-10(21)17(25-2)14(13)22/h4-6,19-22H,1-3H3
InChIKeyGYDHMMZXCZJRCI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone (CHEBI:180421) is a ether (CHEBI:25698)
5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone (CHEBI:180421) is a flavonoids (CHEBI:72544)
IUPAC Name 
2-(2,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,6-dimethoxychromen-4-one
Manual XrefsDatabases
24845613ChemSpider
HMDB0130279HMDB
LMPK12113052LIPID MAPS