7-deoxyloganin

Properties Image MNX_ID MNXM6965 reference chebi:18370 formula C17H26O9 global charge 0 mol weight 374.386 InChIKey KMHXLGLJTQHEIM-OUEWTLASSA-N InChI InChI=1S/C17H26O9/c1-7-3-4-8-9(15(22)23-2)6-24-16(11(7)8)26-17-14(21)13(20)12(19)10(5-18)25-17/h6-8,10-14,16-21H,3-5H2,1-2H3/t7-,8+,10+,11+,12+,13-,14+,16-,17-/m0/s1 SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@@H]2C MNX internals InChI (mnx) InChI=1/C17H26O9/c1-7-3-4-8-9(15(22)23-2)6-24-16(11(7)8)26-17-14(21)13(20)12(19)10(5-18)25-17/h6-8,10-14,16-21H,3-5H2,1-2H3/t7-,8+,10+,11+,12+,13-,14+,16-,17-/m0/s1 SMILES (mnx) [CH3:1][C@H:7]1[CH2:3][CH2:4][C@@H:8]2[C:9]([C:15](=[O:22])[O:23][CH3:2])=[CH:6][O:24][C@@H:16]([O:26][C@H:17]3[C@H:14]([OH:21])[C@@H:13]([OH:20])[C@H:12]([OH:19])[C@@H:10]([CH2:5][OH:18])[O:25]3)[C@H:11]12

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 9 in models (compartimentalized) 0