Search MNXref
 Feedback

3-(3,5-dihydroxyphenyl)-1-propanoic acid sulphate

PropertiesImage
MNX_IDMNXM150819 Image of MNXM150819
referencechebi:176376
formulaC9H10O7S
global charge0
mol weight262.239
InChIKeyIZEZNNYKKNVXNA-UHFFFAOYSA-N
InChIInChI=1S/C9H10O7S/c10-7-3-6(4-8(11)5-7)1-2-9(12)16-17(13,14)15/h3-5,10-11H,1-2H2,(H,13,14,15)
SMILESO=C(CCC1=CC(O)=CC(O)=C1)OS(=O)(=O)O
MNX internals
InChI (mnx)InChI=1/C9H10O7S/c10-7-3-6(4-8(11)5-7)1-2-9(12)16-17(13,14)15/h3-5,10-11H,1-2H2,(H,13,14,15) Image of MNXM150819
SMILES (mnx)[CH2:1]([CH2:2][C:9](=[O:12])[O:16][S:17]([OH:13])(=[O:14])=[O:15])[C:6]1=[CH:3][C:7]([OH:10])=[CH:5][C:8]([OH:11])=[CH:4]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:176376
chebi:176376
IZEZNNYKKNVXNA-UHFFFAOYSA-N 		3-(3,5-dihydroxyphenyl)-1-propanoic acid sulphate
sulo 3-(3,5-dihydroxyphenyl)propanoate
hmdb:HMDB0061117
IZEZNNYKKNVXNA-UHFFFAOYSA-N 		3-(3,5-dihydroxyphenyl)-1-propanoic acid sulphate
3-(3,5-Dihydroxyphenyl)-1-propanoate sulfate
3-(3,5-Dihydroxyphenyl)-1-propanoate sulphate
3-(3,5-Dihydroxyphenyl)-1-propanoic acid sulfuric acid
3-(3,5-Dihydroxyphenyl)-1-propanoic acid sulphuric acid
sulfo 3-(3,5-dihydroxyphenyl)propanoate

hmdb:HMDB61117 		secondary/obsolete/fantasy identifier