malonyl-furaneol glucopyranoside

Properties Image MNX_ID MNXM125791 reference metacycM:CPD-17454 formula C15H19O11 global charge -1 mol weight 375.306 InChIKey QJYOBEMAMLWZTF-ALQFCZPRSA-M InChI InChI=1S/C15H20O11/c1-5-10(19)14(6(2)24-5)26-15-13(22)12(21)11(20)7(25-15)4-23-9(18)3-8(16)17/h5,7,11-13,15,20-22H,3-4H2,1-2H3,(H,16,17)/p-1/t5?,7-,11-,12+,13-,15+/m1/s1 SMILES CC1=C(O[C@@H]2O[C@H](COC(=O)CC(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)C(=O)C(C)O1 MNX internals InChI (mnx) InChI=1/C15H20O11/c1-5-10(19)14(6(2)24-5)26-15-13(22)12(21)11(20)7(25-15)4-23-9(18)3-8(16)17/h5,7,11-13,15,20-22H,3-4H2,1-2H3,(H,16,17)/t5?,7-,11-,12+,13-,15+/m1/s1 SMILES (mnx) [CH3:1][CH:5]1[C:10](=[O:19])[C:14]([O:26][C@H:15]2[C@H:13]([OH:22])[C@@H:12]([OH:21])[C@H:11]([OH:20])[C@@H:7]([CH2:4][O:23][C:9]([CH2:3][C:8](=[O:16])[OH:17])=[O:18])[O:25]2)=[C:6]([CH3:2])[O:24]1

Parent-child relations graph

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