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

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2,5-dihydroxybenzenesulfonic acid

	Properties	Image
MNX_ID	MNXM101578
reference	chebi:71157
formula	C₆H₆O₅S
global charge	0
mol weight	190.176
InChIKey	IKQCSJBQLWJEPU-UHFFFAOYSA-N
InChI	InChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)
SMILES	O=S(=O)(O)C1=C(O)C=CC(O)=C1

MNX internals

InChI (mnx)	InChI=1/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)
SMILES (mnx)	[CH:1]1=[CH:2][C:5]([OH:8])=[C:6]([S:12]([OH:9])(=[O:10])=[O:11])[CH:3]=[C:4]1[OH:7]

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:71157 chebi:71157 IKQCSJBQLWJEPU-UHFFFAOYSA-N	2,5-dihydroxybenzenesulfonic acid 2,5-Dihydroxybenzenesulphonic acid Dobesilic acid
hmdb:HMDB0245498 IKQCSJBQLWJEPU-UHFFFAOYSA-N	2,5-Dihydroxybenzenesulfonic Acid 2,5 Dihydroxybenzenesulfonate 2,5 Dihydroxybenzenesulfonic acid 2,5-Dihydroxybenzenesulfonate 2,5-Dihydroxybenzenesulfonic acid 2,5-Dihydroxybenzenesulphonate 2,5-Dihydroxybenzenesulphonic acid 2,5-dihydroxybenzene-1-sulfonic acid 2,5-dihydroxybenzenesulfonic acid Altana pharma oranienburg brand OF calcium dobesilate monohydrate Calcium dobesilate Calcium dobesilate (1:1) Calcium dobesilate monoammonium salt Calcium dobesilate monopotassium salt Calcium, dobesilate Dexium Dobesilate Dobesilate calcium Dobesilate, calcium Dobesilic acid Dobica Doxium Esteve brand OF calcium dobesilate Knoll brand OF calcium dobesilate Sanofi synthelabo brand OF calcium dobesilate