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3-Phenylpropionic acid sulfate

PropertiesImage
MNX_IDMNXM1129943 Image of MNXM1129943
referencehmdb:HMDB0240372
formulaC9H10O5S
global charge0
mol weight230.241
InChIKeyLRJRUWWLXQZANS-UHFFFAOYSA-N
InChIInChI=1S/C9H10O5S/c10-9(14-15(11,12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12,13)
SMILESO=C(CCC1=CC=CC=C1)OS(=O)(=O)O
MNX internals
InChI (mnx)InChI=1/C9H10O5S/c10-9(14-15(11,12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12,13) Image of MNXM1129943
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:8]([CH2:6][CH2:7][C:9](=[O:10])[O:14][S:15]([OH:11])(=[O:12])=[O:13])[CH:5]=[CH:3]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
hmdb:HMDB0240372
LRJRUWWLXQZANS-UHFFFAOYSA-N 		3-Phenylpropionic acid sulfate
3-(Phenyl)propanoic acid-O-sulfate
3-(Phenyl)propanoic acid-O-sulphate
3-(Phenyl)propionic acid-O-sulfate
3-(Phenyl)propionic acid-O-sulphate
3-Phenylpropanoic acid-O-sulfate
3-Phenylpropanoic acid-O-sulphate
3-Phenylpropionate sulfate
3-Phenylpropionate sulphate
3-Phenylpropionic acid sulfuric acid
3-Phenylpropionic acid sulphuric acid
3-Phenylpropionic acid-O-sulfate
3-Phenylpropionic acid-O-sulphate
Phenylpropanoic acid sulfate
Phenylpropanoic acid sulphate
Phenylpropionic acid sulfate
Phenylpropionic acid sulphate
SulfO 3-phenylpropanoic acid
SulphO 3-phenylpropanoate
SulphO 3-phenylpropanoic acid
sulfo 3-phenylpropanoate