EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:77877 - 3,3'-biflaviolin(3−)

ChEBI IDCHEBI:77877
ChEBI Name3,3'-biflaviolin(3−)
Stars
ASCII Name3,3'-biflaviolin(3-)
DefinitionA flavonoid oxoanion that is a trianionic form of 3,3'-biflaviolin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified11 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC20H7O10
Net Charge-3
Average Mass407.266
Monoisotopic Mass407.00557
SMILESO=C1C([O-])=C(C2=C([O-])C(=O)c3cc(O)cc(O)c3C2=O)C(=O)c2c(O)cc([O-])cc21
InChIInChI=1S/C20H10O10/c21-5-1-7-11(9(23)3-5)17(27)13(19(29)15(7)25)14-18(28)12-8(16(26)20(14)30)2-6(22)4-10(12)24/h1-4,21-24,29-30H/p-3
InChIKeyNOKUEYSCIIGRDQ-UHFFFAOYSA-K
ChEBI Ontology
Outgoing Relation(s)
3,3'-biflaviolin(3−) (CHEBI:77877) is a flavonoid oxoanion (CHEBI:60038)
3,3'-biflaviolin(3−) (CHEBI:77877) is conjugate base of 3,3'-biflaviolin 2,2'-diolate (CHEBI:58871)
Incoming Relation(s)
3,3'-biflaviolin 2,2'-diolate (CHEBI:58871) is conjugate acid of 3,3'-biflaviolin(3−) (CHEBI:77877)
IUPAC Name 
6',8,8'-trihydroxy-1,1',4,4'-tetraoxo-1,1',4,4'-tetrahydro-2,2'-binaphthalene-3,3',6-triolate
UniProt Name  Source
3,3'-biflaviolinUniProt