EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:180416 - 5,6,7,4'-Tetrahydroxy-3,3',5'-trimethoxyflavone

ChEBI IDCHEBI:180416
ChEBI Name5,6,7,4'-Tetrahydroxy-3,3',5'-trimethoxyflavone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16O9
Net Charge0
Average Mass376.317
Monoisotopic Mass376.07943
SMILESCOc1cc(-c2oc3cc(O)c(O)c(O)c3c(=O)c2OC)cc(OC)c1O
InChIInChI=1S/C18H16O9/c1-24-10-4-7(5-11(25-2)14(10)21)17-18(26-3)16(23)12-9(27-17)6-8(19)13(20)15(12)22/h4-6,19-22H,1-3H3
InChIKeyNIGNLUGNIQKBLO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5,6,7,4'-Tetrahydroxy-3,3',5'-trimethoxyflavone (CHEBI:180416) is a ether (CHEBI:25698)
5,6,7,4'-Tetrahydroxy-3,3',5'-trimethoxyflavone (CHEBI:180416) is a flavonoids (CHEBI:72544)
IUPAC Name 
5,6,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxychromen-4-one
Manual XrefsDatabases
LMPK12110613LIPID MAPS
24843647ChemSpider