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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6O6S
Molecular Weight 206.173
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYROGALLOL-2-O-SULFATE

SMILES

OC1=CC=CC(O)=C1OS(O)(=O)=O

InChI

InChIKey=XADBYTWTQXSBAF-UHFFFAOYSA-N
InChI=1S/C6H6O6S/c7-4-2-1-3-5(8)6(4)12-13(9,10)11/h1-3,7-8H,(H,9,10,11)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1,2,3-BENZENETRIOL, 2-(HYDROGEN SULFATE)
Preferred Name English
PYROGALLOL-2-O-SULFATE
Common Name English
2,6-DIHYDROXYPHENYL HYDROGEN SULFATE
Systematic Name English
1,3-DIHYDROXYPHENYL-2-O-SULFATE
Common Name English
1,3-DIHYDROXYPHENOL-2-O-SULFATE
Common Name English
Code System Code Type Description
PUBCHEM
92013662
Created by admin on Wed Apr 02 11:58:47 GMT 2025 , Edited by admin on Wed Apr 02 11:58:47 GMT 2025
PRIMARY
CAS
845253-27-2
Created by admin on Wed Apr 02 11:58:47 GMT 2025 , Edited by admin on Wed Apr 02 11:58:47 GMT 2025
PRIMARY
FDA UNII
VQ47UE4LMF
Created by admin on Wed Apr 02 11:58:47 GMT 2025 , Edited by admin on Wed Apr 02 11:58:47 GMT 2025
PRIMARY
PARENT (METABOLITE)
GREEN TEA LEAF
NIH
NCATS
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