O-sinapoylglucarolactone

Properties Image MNX_ID MNXM93727 reference metacycM:O-SINAPOYLGLUCAROLACTONE formula C17H18O11 global charge 0 mol weight 398.32 InChIKey UWTYNMLWDGHWKX-XAAJGCANSA-N InChI InChI=1S/C17H18O11/c1-25-8-5-7(6-9(26-2)11(8)19)3-4-10(18)27-17(24)15-13(21)12(20)14(22)16(23)28-15/h3-6,12-15,19-22H,1-2H3/b4-3+/t12-,13-,14+,15-/m0/s1 SMILES COC1=CC(/C=C/C(=O)OC(=O)[C@H]2OC(=O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(OC)=C1O MNX internals InChI (mnx) InChI=1/C17H18O11/c1-25-8-5-7(6-9(26-2)11(8)19)3-4-10(18)27-17(24)15-13(21)12(20)14(22)16(23)28-15/h3-6,12-15,19-22H,1-2H3/b4-3+/t12-,13-,14+,15-/m0/s1 SMILES (mnx) [CH3:1][O:25][C:8]1=[C:11]([OH:19])[C:9]([O:26][CH3:2])=[CH:6][C:7](/[CH:3]=[CH:4]/[C:10](=[O:18])[O:27][C:17]([C@@H:15]2[C@@H:13]([OH:21])[C@H:12]([OH:20])[C@@H:14]([OH:22])[C:16](=[O:23])[O:28]2)=[O:24])=[CH:5]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0