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

PropertiesImage
MNX_IDMNXM1129973 Image of MNXM1129973
referencehmdb:HMDB0240457
formulaC11H14O8S
global charge0
mol weight306.292
InChIKeyKZIXDBSFYKKBMP-UHFFFAOYSA-N
InChIInChI=1S/C11H14O8S/c12-8(1-2-11(14)15)3-7-4-9(13)6-10(5-7)19-20(16,17)18/h4-6,8,12-13H,1-3H2,(H,14,15)(H,16,17,18)
SMILESO=C(O)CCC(O)CC1=CC(O)=CC(OS(=O)(=O)O)=C1
MNX internals
InChI (mnx)InChI=1/C11H14O8S/c12-8(1-2-11(14)15)3-7-4-9(13)6-10(5-7)19-20(16,17)18/h4-6,8,12-13H,1-3H2,(H,14,15)(H,16,17,18)/t8? Image of MNXM1129973
SMILES (mnx)[CH2:1]([CH2:2][C:11](=[O:14])[OH:15])[CH:8]([CH2:3][C:7]1=[CH:4][C:9]([OH:13])=[CH:6][C:10]([O:19][S:20]([OH:16])(=[O:17])=[O:18])=[CH:5]1)[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:HMDB0240457
KZIXDBSFYKKBMP-UHFFFAOYSA-N 		4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid sulfate
4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valerate sulfate
4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valerate sulphate
4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid sulfuric acid
4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid sulphuric acid
4-Hydroxy-5-[3-hydroxy-5-(sulfooxy)phenyl]pentanoate
4-Hydroxy-5-[3-hydroxy-5-(sulphooxy)phenyl]pentanoate
4-Hydroxy-5-[3-hydroxy-5-(sulphooxy)phenyl]pentanoic acid
4-hydroxy-5-[3-hydroxy-5-(sulfooxy)phenyl]pentanoic acid