geranyl beta-primeveroside

Properties Image MNX_ID MNXM98398 reference metacycM:CPD-14731 formula C21H36O10 global charge 0 mol weight 448.509 InChIKey IEGFOTASSBZIBZ-QLPUMLPOSA-N InChI InChI=1S/C21H36O10/c1-11(2)5-4-6-12(3)7-8-28-21-19(27)17(25)16(24)14(31-21)10-30-20-18(26)15(23)13(22)9-29-20/h5,7,13-27H,4,6,8-10H2,1-3H3/b12-7+/t13-,14-,15+,16-,17+,18-,19-,20+,21-/m1/s1 SMILES CC(C)=CCC/C(C)=C/CO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C21H36O10/c1-11(2)5-4-6-12(3)7-8-28-21-19(27)17(25)16(24)14(31-21)10-30-20-18(26)15(23)13(22)9-29-20/h5,7,13-27H,4,6,8-10H2,1-3H3/b12-7+/t13-,14-,15+,16-,17+,18-,19-,20+,21-/m1/s1 SMILES (mnx) [CH3:1][C:11]([CH3:2])=[CH:5][CH2:4][CH2:6]/[C:12]([CH3:3])=[CH:7]/[CH2:8][O:28][C@H:21]1[C@H:19]([OH:27])[C@@H:17]([OH:25])[C@H:16]([OH:24])[C@@H:14]([CH2:10][O:30][C@H:20]2[C@H:18]([OH:26])[C@@H:15]([OH:23])[C@H:13]([OH:22])[CH2:9][O:29]2)[O:31]1

Parent-child relations graph

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