7-deoxyloganate

Properties Image MNX_ID MNXM5578 reference chebi:76844 formula C16H23O9 global charge -1 mol weight 359.351 InChIKey DSXFHNSGLYXPNG-YDYVGBNJSA-M InChI InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/p-1/t6-,7+,9+,10+,11+,12-,13+,15-,16-/m0/s1 SMILES C[C@H]1CC[C@@H]2C(C(=O)[O-])=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21 MNX internals InChI (mnx) InChI=1/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7+,9+,10+,11+,12-,13+,15-,16-/m0/s1 SMILES (mnx) [CH3:1][C@H:6]1[CH2:2][CH2:3][C@@H:7]2[C:8]([C:14](=[O:21])[OH:22])=[CH:5][O:23][C@@H:15]([O:25][C@H:16]3[C@H:13]([OH:20])[C@@H:12]([OH:19])[C@H:11]([OH:18])[C@@H:9]([CH2:4][OH:17])[O:24]3)[C@H:10]12

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 8 in models (compartimentalized) 0