(E)-sinapoyltartronate

Properties Image MNX_ID MNXM4825 reference chebi:57680 formula C14H12O9 global charge -2 mol weight 324.241 InChIKey BILXTXFCLYPNMR-ONEGZZNKSA-L InChI InChI=1S/C14H14O9/c1-21-8-5-7(6-9(22-2)11(8)16)3-4-10(15)23-12(13(17)18)14(19)20/h3-6,12,16H,1-2H3,(H,17,18)(H,19,20)/p-2/b4-3+ SMILES COC1=CC(/C=C/C(=O)OC(C(=O)[O-])C(=O)[O-])=CC(OC)=C1O MNX internals InChI (mnx) InChI=1/C14H14O9/c1-21-8-5-7(6-9(22-2)11(8)16)3-4-10(15)23-12(13(17)18)14(19)20/h3-6,12,16H,1-2H3,(H,17,18)(H,19,20)/b4-3+ SMILES (mnx) [CH3:1][O:21][C:8]1=[C:11]([OH:16])[C:9]([O:22][CH3:2])=[CH:6][C:7](/[CH:3]=[CH:4]/[C:10](=[O:15])[O:23][CH:12]([C:13](=[O:17])[OH:18])[C:14](=[O:19])[OH:20])=[CH:5]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0