Dihydrocaffeic acid 3-sulfate

Properties Image MNX_ID MNXM124892 reference chebi:176472 formula C9H10O7S global charge 0 mol weight 262.239 InChIKey MIMULQQHBAZGER-UHFFFAOYSA-N InChI InChI=1S/C9H10O7S/c10-7-3-1-6(2-4-9(11)12)5-8(7)16-17(13,14)15/h1,3,5,10H,2,4H2,(H,11,12)(H,13,14,15) SMILES O=C(O)CCC1=CC(OS(=O)(=O)O)=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C9H10O7S/c10-7-3-1-6(2-4-9(11)12)5-8(7)16-17(13,14)15/h1,3,5,10H,2,4H2,(H,11,12)(H,13,14,15) SMILES (mnx) [CH:1]1=[CH:3][C:7]([OH:10])=[C:8]([O:16][S:17]([OH:13])(=[O:14])=[O:15])[CH:5]=[C:6]1[CH2:2][CH2:4][C:9](=[O:11])[OH:12]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0