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2-O-sulfate-4-hydroxyacetophenone

PropertiesImage
MNX_IDMNXM116398 Image of MNXM116398
referencechebi:143237
formulaC8H8O6S
global charge0
mol weight232.213
InChIKeyCOXWPCPYWFBNJH-UHFFFAOYSA-N
InChIInChI=1S/C8H8O6S/c1-5(9)7-3-2-6(10)4-8(7)14-15(11,12)13/h2-4,10H,1H3,(H,11,12,13)
SMILESCC(=O)C1=C(OS(=O)(=O)O)C=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C8H8O6S/c1-5(9)7-3-2-6(10)4-8(7)14-15(11,12)13/h2-4,10H,1H3,(H,11,12,13) Image of MNXM116398
SMILES (mnx)[CH3:1][C:5]([C:7]1=[C:8]([O:14][S:15]([OH:11])(=[O:12])=[O:13])[CH:4]=[C:6]([OH:10])[CH:2]=[CH:3]1)=[O:9]
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:143237
chebi:143237
COXWPCPYWFBNJH-UHFFFAOYSA-N 		2-O-sulfate-4-hydroxyacetophenone
2,4-dihydroxyacetophenone 5-sulfate
2-acetyl-5-hydroxyphenyl hydrogen sulfate
hmdb:HMDB0041646
COXWPCPYWFBNJH-UHFFFAOYSA-N 		2,4-Dihydroxyacetophenone 5-sulfate
(2-Acetyl-5-hydroxyphenyl)oxidanesulfonate
(2-Acetyl-5-hydroxyphenyl)oxidanesulphonate
(2-Acetyl-5-hydroxyphenyl)oxidanesulphonic acid
(2-acetyl-5-hydroxyphenyl)oxidanesulfonic acid
2,4-Dihydroxyacetophenone 5-sulfuric acid
2,4-Dihydroxyacetophenone 5-sulphate
2,4-Dihydroxyacetophenone 5-sulphuric acid

hmdb:HMDB41646 		secondary/obsolete/fantasy identifier