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4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid 4'-sulfate

PropertiesImage
MNX_IDMNXM1129971 Image of MNXM1129971
referencehmdb:HMDB0240454
formulaC11H14O8S
global charge0
mol weight306.292
InChIKeyGSTPJGFSDIEVSY-UHFFFAOYSA-N
InChIInChI=1S/C11H14O8S/c12-8(2-4-11(14)15)5-7-1-3-10(9(13)6-7)19-20(16,17)18/h1,3,6,8,12-13H,2,4-5H2,(H,14,15)(H,16,17,18)
SMILESO=C(O)CCC(O)CC1=CC(O)=C(OS(=O)(=O)O)C=C1
MNX internals
InChI (mnx)InChI=1/C11H14O8S/c12-8(2-4-11(14)15)5-7-1-3-10(9(13)6-7)19-20(16,17)18/h1,3,6,8,12-13H,2,4-5H2,(H,14,15)(H,16,17,18)/t8? Image of MNXM1129971
SMILES (mnx)[CH:1]1=[CH:3][C:10]([O:19][S:20]([OH:16])(=[O:17])=[O:18])=[C:9]([OH:13])[CH:6]=[C:7]1[CH2:5][CH:8]([CH2:2][CH2:4][C:11](=[O:14])[OH:15])[OH:12]
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:HMDB0240454
GSTPJGFSDIEVSY-UHFFFAOYSA-N 		4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid 4'-sulfate
4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valerate 4'-sulfate
4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valerate 4'-sulphate
4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid 4'-sulfuric acid
4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid 4'-sulphuric acid
4-Hydroxy-5-[3-hydroxy-4-(sulfooxy)phenyl]pentanoate
4-Hydroxy-5-[3-hydroxy-4-(sulphooxy)phenyl]pentanoate
4-Hydroxy-5-[3-hydroxy-4-(sulphooxy)phenyl]pentanoic acid
4-hydroxy-5-[3-hydroxy-4-(sulfooxy)phenyl]pentanoic acid