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CHEBI:77840 - 3,8'-biflaviolin 2,7,2'-triolate

ChEBI IDCHEBI:77840
ChEBI Name3,8'-biflaviolin 2,7,2'-triolate
Stars
DefinitionA flavonoid oxoanion that is a trianionic form of 3,8'-biflaviolin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified22 May 2014
SubmitterKAX
DownloadsMolfile
FormulaC20H7O10
Net Charge-3
Average Mass407.266
Monoisotopic Mass407.00557
SMILESO=C1C([O-])=C(c2c([O-])cc(O)c3c2C(=O)C([O-])=CC3=O)C(=O)c2c(O)cc(O)cc21
InChIInChI=1S/C20H10O10/c21-5-1-6-12(7(22)2-5)19(29)16(20(30)17(6)27)14-10(25)3-8(23)13-9(24)4-11(26)18(28)15(13)14/h1-4,21-23,25-26,30H/p-3
InChIKeyOOELZGXRYRWDSC-UHFFFAOYSA-K
ChEBI Ontology
Outgoing Relation(s)
3,8'-biflaviolin 2,7,2'-triolate (CHEBI:77840) is a flavonoid oxoanion (CHEBI:60038)
3,8'-biflaviolin 2,7,2'-triolate (CHEBI:77840) is conjugate base of 3,8'-biflaviolin 2,2'-diolate (CHEBI:58872)
Incoming Relation(s)
3,8'-biflaviolin 2,2'-diolate (CHEBI:58872) is conjugate acid of 3,8'-biflaviolin 2,7,2'-triolate (CHEBI:77840)
IUPAC Name 
4,6',8'-trihydroxy-1',4',5,8-tetraoxo-1',4',5,8-tetrahydro-1,2'-binaphthalene-2,3',7-triolate
UniProt Name  Source
3,8'-biflaviolinUniProt