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4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate

PropertiesImage
MNX_IDMNXM151177 Image of MNXM151177
referencechebi:88703
formulaC11H14O6S
global charge0
mol weight274.294
InChIKeyZCVMPBGBUWWKNR-UHFFFAOYSA-N
InChIInChI=1S/C11H14O6S/c12-10(8-9-4-2-1-3-5-9)6-7-11(13)17-18(14,15)16/h1-5,10,12H,6-8H2,(H,14,15,16)
SMILESO=C(CCC(O)CC1=CC=CC=C1)OS(=O)(=O)O
MNX internals
InChI (mnx)InChI=1/C11H14O6S/c12-10(8-9-4-2-1-3-5-9)6-7-11(13)17-18(14,15)16/h1-5,10,12H,6-8H2,(H,14,15,16)/t10? Image of MNXM151177
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:9]([CH2:8][CH:10]([CH2:6][CH2:7][C:11](=[O:13])[O:17][S:18]([OH:14])(=[O:15])=[O:16])[OH:12])[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

CHEBI:88703
chebi:88703
ZCVMPBGBUWWKNR-UHFFFAOYSA-N 		4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate
sulfo 4-hydroxy-5-phenylpentanoate
hmdb:HMDB0059981
ZCVMPBGBUWWKNR-UHFFFAOYSA-N 		4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate
4-Hydroxy-5-(phenyl)-valerate-O-sulfate
4-Hydroxy-5-(phenyl)-valerate-O-sulphate
4-Hydroxy-5-(phenyl)-valeric acid-O-sulfuric acid
4-Hydroxy-5-(phenyl)-valeric acid-O-sulphuric acid
SulfO 4-hydroxy-5-phenylpentanoic acid
SulphO 4-hydroxy-5-phenylpentanoate
SulphO 4-hydroxy-5-phenylpentanoic acid
sulfo 4-hydroxy-5-phenylpentanoate

hmdb:HMDB59981 		secondary/obsolete/fantasy identifier