**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

{[(4E)-5-(4-methoxyphenyl)-3-oxopent-4-en-1-yl]oxy}sulfonic acid

Properties Image MNX_ID MNXM1378477 reference chebi:193871 formula C12H14O6S global charge 0 mol weight 286.305 InChIKey NNNPIGPZCVLJSQ-GORDUTHDSA-N InChI InChI=1S/C12H14O6S/c1-17-12-6-3-10(4-7-12)2-5-11(13)8-9-18-19(14,15)16/h2-7H,8-9H2,1H3,(H,14,15,16)/b5-2+ SMILES COc1ccc(/C=C/C(=O)CCOS(=O)(=O)O)cc1 MNX internals InChI (mnx) InChI=1/C12H14O6S/c1-17-12-6-3-10(4-7-12)2-5-11(13)8-9-18-19(14,15)16/h2-7H,8-9H2,1H3,(H,14,15,16)/b5-2+ SMILES (mnx) [C:1]([CH2:2][CH2:9][CH2:8][C:11](=[CH2:4])/[O:13]=[CH:12]\[C:10]1=[O:14][O:17]=[O:16]([CH2:3][SH:19])[O:18]=[O:15]1)([CH3:5])(=[CH2:6])=[CH2:7]

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

Identifier	Description
CHEBI:193871 chebi:193871 NNNPIGPZCVLJSQ-GORDUTHDSA-N	{[(4E)-5-(4-methoxyphenyl)-3-oxopent-4-en-1-yl]oxy}sulfonic acid [(E)-5-(4-methoxyphenyl)-3-oxopent-4-enyl] hydrogen sulate