EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:231815 - 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

ChEBI IDCHEBI:231815
ChEBI Name2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Stars
Submittermwilliams
DownloadsMolfile
FormulaC22H22O12
Net Charge0
Average Mass478.406
Monoisotopic Mass478.11113
SMILESCOc1cc(O)c2c(=O)c(OC3OC(CO)C(O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc2c1
InChIInChI=1S/C22H22O12/c1-31-9-5-12(26)15-13(6-9)32-20(8-2-3-10(24)11(25)4-8)21(17(15)28)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3
InChIKeyPHEWILLIAJUBQE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one (CHEBI:231815) is a flavonoids (CHEBI:72544)
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one (CHEBI:231815) is a glycoside (CHEBI:24400)