MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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3,8'-biflaviolin

MNXM4982 is deprecated and here replaced by MNXM1369807
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1369807
reference	chebi:77840
formula	C₂₀H₇O₁₀
global charge	-3
mol weight	407.266
InChIKey	OOELZGXRYRWDSC-UHFFFAOYSA-K
InChI	InChI=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
SMILES	O=C1C=C([O-])C(=O)C2=C(C3=C([O-])C(=O)C4=CC(O)=CC(O)=C4C3=O)C([O-])=CC(O)=C12

MNX internals

InChI (mnx)	InChI=1/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
SMILES (mnx)	[CH:1]1=[C:5]([OH:21])[CH:2]=[C:7]([OH:22])[C:12]2=[C:6]1[C:17](=[O:27])[C:20]([OH:30])=[C:16]([C:14]1=[C:10]([OH:25])[CH:3]=[C:8]([OH:23])[C:13]3=[C:15]1[C:18](=[O:28])[C:11]([OH:26])=[CH:4][C:9]3=[O:24])[C:19]2=[O:29]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77840 chebi:77840 OOELZGXRYRWDSC-UHFFFAOYSA-K	3,8'-biflaviolin 3,8'-biflaviolin 2,7,2'-triolate 4,6',8'-trihydroxy-1',4',5,8-tetraoxo-1',4',5,8-tetrahydro-1,2'-binaphthalene-2,3',7-triolate
kegg.compound:C18014 keggC:C18014 OOELZGXRYRWDSC-UHFFFAOYSA-N	3,8'-Biflaviolin 2,3',4,6',7,8'-Hexahydroxy-1,2'-binaphthalene-1',4',5,8-tetraone
CHEBI:58872 chebi:58872 OOELZGXRYRWDSC-UHFFFAOYSA-L	3,8'-biflaviolin 2,2'-diolate 2,4,6',8'-tetrahydroxy-1',4',5,8-tetraoxo-1',4',5,8-tetrahydro-1,2'-binaphthalene-3',7-diolate 8-(6,8-dihydroxy-3-oxido-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-5,7-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-olate
metacyc.compound:CPD-10681 metacycM:CPD-10681 OOELZGXRYRWDSC-UHFFFAOYSA-L	3,8'-biflaviolin 2,3',4,6',7,8'-hexahydroxy-1,2'-binaphthalene-1',4',5,8-tetraone
CHEBI:51837 chebi:51837 OOELZGXRYRWDSC-UHFFFAOYSA-N	3,8'-biflaviolin 2,3',4,6',7,8'-hexahydroxy-1,2'-binaphthalene-1',4',5,8-tetraone 2,3',4,6',7,8'-hexahydroxy-1,2'-binaphthalene-1',4',5,8-tetrone 2,3',4,6',7,8'-hexahydroxy-1,2'-binaphthyl-1',4',5,8-tetrone
keggC:M_C18014	secondary/obsolete/fantasy identifier