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

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eosin b

	Properties	Image
MNX_ID	MNXM52249
reference	chebi:39077
formula	C₂₀H₆Br₂N₂Na₂O₉
global charge	0
mol weight	624.061
InChIKey	QGAYMQGSQUXCQO-UHFFFAOYSA-L
InChI	InChI=1S/C20H8Br2N2O9.2Na/c21-13-15(25)11(23(28)29)5-9-17(13)32-18-10(6-12(24(30)31)16(26)14(18)22)20(9)8-4-2-1-3-7(8)19(27)33-20;;/h1-6,25-26H;;/q;2*+1/p-2
SMILES	O=C1OC2(C3=C1C=CC=C3)C1=C(OC3=C2C=C([N+](=O)[O-])C([O-])=C3Br)C(Br)=C([O-])C([N+](=O)[O-])=C1.[Na+].[Na+]

MNX internals

InChI (mnx)	InChI=1/C20H8Br2N2O9.2Na/c21-13-15(25)11(23(28)29)5-9-17(13)32-18-10(6-12(24(30)31)16(26)14(18)22)20(9)8-4-2-1-3-7(8)19(27)33-20;;/h1-6,25-26H;;/q;2*+1
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:8]2[C:7](=[CH:3]1)[C:19](=[O:27])[O:33][C:20]21[C:9]2=[CH:5][C:11]([N+:23]([O-:28])=[O:29])=[C:15]([OH:25])[C:13]([Br:21])=[C:17]2[O:32][C:18]2=[C:10]1[CH:6]=[C:12]([N+:24]([O-:30])=[O:31])[C:16]([OH:26])=[C:14]2[Br:22].[Na+:34].[Na+:35]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:39077 chebi:39077 QGAYMQGSQUXCQO-UHFFFAOYSA-L	eosin b 2-(4,5-Dibromo-3,6-dihydroxy-2,7-dinitroxanthen-9-yl)-benzoic acid, disodium salt C.I. 45400 C.I. Acid Red 91 Dibromodinitrofluorescein sodium Saffrosine Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 4',5'-dibromo-3',6'-dihydroxy-2',7'-dinitro-, disodium salt acid red 91 disodium 4',5'-dibromo-2',7'-dinitro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate eosin bluish imperial red