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3,3'-biflaviolin

PropertiesImage
MNX_IDMNXM4979 Image of MNXM4979
referencechebi:77877
formulaC20H7O10
global charge-3
mol weight407.266
InChIKeyNOKUEYSCIIGRDQ-UHFFFAOYSA-K
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
SMILESO=C1C2=CC(O)=CC(O)=C2C(=O)C(C2=C([O-])C(=O)C3=C(C2=O)C(O)=CC([O-])=C3)=C1[O-]
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM4979
SMILES (mnx)[CH:1]1=[C:5]([OH:21])[CH:3]=[C:9]([OH:23])[C:11]2=[C:7]1[C:15](=[O:25])[C:19]([OH:29])=[C:13]([C:14]1=[C:20]([OH:30])[C:16](=[O:26])[C:8]3=[C:12]([C:10]([OH:24])=[CH:4][C:6]([OH:22])=[CH:2]3)[C:18]1=[O:28])[C:17]2=[O:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77877
chebi:77877
NOKUEYSCIIGRDQ-UHFFFAOYSA-K 		3,3'-biflaviolin
3,3'-biflaviolin(3-)
6',8,8'-trihydroxy-1,1',4,4'-tetraoxo-1,1',4,4'-tetrahydro-2,2'-binaphthalene-3,3',6-triolate

kegg.compound:C18013
keggC:C18013
NOKUEYSCIIGRDQ-UHFFFAOYSA-N 		3,3'-Biflaviolin
3,3',6,6',8,8'-Hexahydroxy-2,2'-binaphthalene-1,1',4,4'-tetraone

seed.compound:cpd17996
seedM:cpd17996
NOKUEYSCIIGRDQ-UHFFFAOYSA-L 		3,3'-Biflaviolin
3,3',6,6',8,8'-hexahydroxy-2,2'-binaphthalene-1,1',4,4'-tetraone
3,3'-biflaviolin

CHEBI:58871
chebi:58871
NOKUEYSCIIGRDQ-UHFFFAOYSA-L 		3,3'-biflaviolin 2,2'-diolate
3-(6,8-dihydroxy-3-oxido-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-5,7-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-olate
6,6',8,8'-tetrahydroxy-1,1',4,4'-tetraoxo-1,1',4,4'-tetrahydro-2,2'-binaphthalene-3,3'-diolate

metacyc.compound:CPD-10680
metacycM:CPD-10680
NOKUEYSCIIGRDQ-UHFFFAOYSA-L 		3,3'-biflaviolin
3,3',6,6',8,8'-hexahydroxy-2,2'-binaphthalene-1,1',4,4'-tetraone

CHEBI:51836
chebi:51836
NOKUEYSCIIGRDQ-UHFFFAOYSA-N 		3,3'-biflaviolin
3,3',6,6',8,8'-hexahydroxy-2,2'-binaphthalene-1,1',4,4'-tetraone
3,3',6,6',8,8'-hexahydroxy-2,2'-binaphthalene-1,1',4,4'-tetrone
3,3',6,6',8,8'-hexahydroxy-2,2'-binaphthyl-1,1',4,4'-tetrone

keggC:M_C18013
seedM:M_cpd17996 		secondary/obsolete/fantasy identifier