Mabiogenin 3-[rhamnosyl-(1->6)-[glucosyl-(1->2)]-glucoside]

Properties Image MNX_ID MNXM127577 reference chebi:185886 formula C48H78O19 global charge 0 mol weight 959.133 InChIKey NJXHMMCRCDCKNH-UZTDFSENSA-N InChI InChI=1S/C48H78O19/c1-20(2)10-13-28-48(9)29(39(58)64-28)22-11-12-26-45(6)16-15-27(44(4,5)25(45)14-17-46(26,7)47(22,8)43(59)67-48)65-42-38(66-41-37(57)34(54)31(51)23(18-49)62-41)35(55)32(52)24(63-42)19-60-40-36(56)33(53)30(50)21(3)61-40/h10,21-38,40-43,49-57,59H,11-19H2,1-9H3/t21-,22+,23+,24+,25?,26?,27-,28+,29+,30-,31+,32+,33+,34-,35-,36+,37+,38+,40+,41-,42-,43-,45-,46+,47-,48-/m0/s1 SMILES CC(C)=CC[C@H]1OC(=O)[C@H]2[C@H]3CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)[C@@H](O)O[C@@]12C MNX internals InChI (mnx) InChI=1/C48H78O19/c1-20(2)10-13-28-48(9)29(39(58)64-28)22-11-12-26-45(6)16-15-27(44(4,5)25(45)14-17-46(26,7)47(22,8)43(59)67-48)65-42-38(66-41-37(57)34(54)31(51)23(18-49)62-41)35(55)32(52)24(63-42)19-60-40-36(56)33(53)30(50)21(3)61-40/h10,21-38,40-43,49-57,59H,11-19H2,1-9H3/t21-,22+,23+,24+,25?,26?,27-,28+,29+,30-,31+,32+,33+,34-,35-,36+,37+,38+,40+,41-,42-,43-,45-,46+,47-,48-/m0/s1 SMILES (mnx) [CH3:1][C:20]([CH3:2])=[CH:10][CH2:13][C@@H:28]1[C@@:48]2([CH3:9])[C@H:29]([C@H:22]3[CH2:11][CH2:12][CH:26]4[C@@:45]5([CH3:6])[CH2:16][CH2:15][C@H:27]([O:65][C@H:42]6[C@H:38]([O:66][C@H:41]7[C@H:37]([OH:57])[C@@H:34]([OH:54])[C@H:31]([OH:51])[C@@H:23]([CH2:18][OH:49])[O:62]7)[C@@H:35]([OH:55])[C@H:32]([OH:52])[C@@H:24]([CH2:19][O:60][C@H:40]7[C@H:36]([OH:56])[C@H:33]([OH:53])[C@@H:30]([OH:50])[C@H:21]([CH3:3])[O:61]7)[O:63]6)[C:44]([CH3:4])([CH3:5])[CH:25]5[CH2:14][CH2:17][C@@:46]4([CH3:7])[C@:47]3([CH3:8])[C@@H:43]([OH:59])[O:67]2)[C:39](=[O:58])[O:64]1

Parent-child relations graph

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