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3,4-dihydroxybenzenesulfonate

Properties

Image

Occurences in reactions

MNX_ID

MNXM6080

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

formula

C₆H₅O₅S

charge

-1

mass

188.98632

reference

InChIKey

LTPDITOEDOAWRU-UHFFFAOYSA-M

InChI

InChI=1S/C6H6O5S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3,7-8H,(H,9,10,11)/p-1

SMILES

O=S(=O)([O-])c1ccc(O)c(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:20478 chebi:20478	3,4-dihydroxybenzenesulfonate 4-sulfocatechol
CHEBI:27758 chebi:27758	3,4-dihydroxybenzenesulfonic acid 4-Sulfocatechol
envipath:...da8da84f41b8 envipathM:...da8da84f41b8 kegg.compound:C06674 keggC:C06674	4-Sulfocatechol
seed.compound:cpd04075 seedM:cpd04075	4-Sulfocatechol 3,4-dihydroxybenzenesulfonate 4-sulfocatechol 4SC
metacyc.compound:CPD-10418 metacycM:CPD-10418	4-sulfocatechol 3,4-dihydroxybenzenesulfonate 4SC
envipath:...7b9562d073b2 envipathM:...7b9562d073b2	compound 0000180
envipath:...edf95e141559 envipathM:...edf95e141559	compound 0046626
chebi:1938 keggC:M_C06674 seedM:M_cpd04075	secondary/obsolete/fantasy identifier