Search MNXref
 Feedback

3,4-dihydroxybenzenesulfonate

PropertiesImage
MNX_IDMNXM6080 Image of MNXM6080
referencechebi:20478
formulaC6H5O5S
global charge-1
mol weight189.168
InChIKeyLTPDITOEDOAWRU-UHFFFAOYSA-M
InChIInChI=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
SMILESO=S(=O)([O-])C1=CC(O)=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C6H6O5S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3,7-8H,(H,9,10,11) Image of MNXM6080
SMILES (mnx)[CH:1]1=[CH:2][C:5]([OH:7])=[C:6]([OH:8])[CH:3]=[C:4]1[S:12]([OH:9])(=[O:10])=[O:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:20478
chebi:20478
LTPDITOEDOAWRU-UHFFFAOYSA-M
3,4-dihydroxybenzenesulfonate
4-sulfocatechol

CHEBI:27758
chebi:27758
LTPDITOEDOAWRU-UHFFFAOYSA-N
3,4-dihydroxybenzenesulfonic acid
4-Sulfocatechol

envipath:...da8da84f41b8
envipathM:...da8da84f41b8
kegg.compound:C06674
keggC:C06674
LTPDITOEDOAWRU-UHFFFAOYSA-M
LTPDITOEDOAWRU-UHFFFAOYSA-N
4-Sulfocatechol

seed.compound:cpd04075
seedM:cpd04075
LTPDITOEDOAWRU-UHFFFAOYSA-M
4-Sulfocatechol
3,4-dihydroxybenzenesulfonate
4-sulfocatechol
4SC

metacyc.compound:CPD-10418
metacycM:CPD-10418
LTPDITOEDOAWRU-UHFFFAOYSA-M
4-sulfocatechol
3,4-dihydroxybenzenesulfonate
4SC

envipath:...7b9562d073b2
envipathM:...7b9562d073b2
LTPDITOEDOAWRU-UHFFFAOYSA-M
compound 0000180

envipath:...edf95e141559
envipathM:...edf95e141559
LTPDITOEDOAWRU-UHFFFAOYSA-M
compound 0046626

chebi:1938
keggC:M_C06674
seedM:M_cpd04075
secondary/obsolete/fantasy identifier