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4-Methylcatechol 1-O-sulfate

PropertiesImage
MNX_IDMNXM1129541 Image of MNXM1129541
referencechebi:176442
formulaC7H8O5S
global charge0
mol weight204.203
InChIKeyNCOMUGOPQPRVSE-UHFFFAOYSA-N
InChIInChI=1S/C7H8O5S/c1-5-2-3-7(6(8)4-5)12-13(9,10)11/h2-4,8H,1H3,(H,9,10,11)
SMILESCC1=CC(O)=C(OS(=O)(=O)O)C=C1
MNX internals
InChI (mnx)InChI=1/C7H8O5S/c1-5-2-3-7(6(8)4-5)12-13(9,10)11/h2-4,8H,1H3,(H,9,10,11) Image of MNXM1129541
SMILES (mnx)[CH3:1][C:5]1=[CH:4][C:6]([OH:8])=[C:7]([O:12][S:13]([OH:9])(=[O:10])=[O:11])[CH:3]=[CH:2]1
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
IdentifierDescription

CHEBI:176442
chebi:176442
NCOMUGOPQPRVSE-UHFFFAOYSA-N 		4-Methylcatechol 1-O-sulfate
(2-hydroxy-4-methylphenyl) hydrogen sulate
hmdb:HMDB0240459
NCOMUGOPQPRVSE-UHFFFAOYSA-N 		4-Methylcatechol 1-sulfate
(2-hydroxy-4-methylphenyl)oxidanesulfonic acid
4-Methyl-catechol-1-O-sulfate
4-Methyl-catechol-1-O-sulfuric acid
4-Methyl-catechol-1-O-sulphuric acid
4-Methylcatechol 1-sulfuric acid
4-Methylcatechol 1-sulphate
4-Methylcatechol 1-sulphuric acid
4-Methylcatechol monosulfate
4-Methylcatechol monosulphate
4-Methylcatechol sulfate
4-Methylcatechol sulphate