10-Deoxygeniposidic acid

Properties Image MNX_ID MNXM6046 reference chebi:695 formula C16H22O9 global charge 0 mol weight 358.343 InChIKey HOKQPTUPMSNUAF-OGJQONSISA-N InChI InChI=1S/C16H22O9/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/h2,5,7,9-13,15-20H,3-4H2,1H3,(H,21,22)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1 SMILES CC1=CC[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]12 MNX internals InChI (mnx) InChI=1/C16H22O9/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/h2,5,7,9-13,15-20H,3-4H2,1H3,(H,21,22)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1 SMILES (mnx) [CH3:1][C:6]1=[CH: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) 3 in models (compartimentalized) 0