Alliosterol 1-(4''-galactosylrhamnoside) 16-galactoside

Properties Image MNX_ID MNXM118927 reference chebi:191538 formula C45H76O18 global charge 0 mol weight 905.085 InChIKey RPMXUCNWRIVIFQ-UHFFFAOYSA-N InChI InChI=1S/C45H76O18/c1-18(2)7-10-26(49)19(3)31-27(59-42-37(55)34(52)32(50)28(16-46)60-42)15-25-23-9-8-21-13-22(48)14-30(45(21,6)24(23)11-12-44(25,31)5)62-41-39(57)36(54)40(20(4)58-41)63-43-38(56)35(53)33(51)29(17-47)61-43/h8,18-20,22-43,46-57H,7,9-17H2,1-6H3 SMILES CC(C)CCC(O)C(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2C3CC=C4CC(O)CC(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C4(C)C3CCC21C MNX internals InChI (mnx) InChI=1/C45H76O18/c1-18(2)7-10-26(49)19(3)31-27(59-42-37(55)34(52)32(50)28(16-46)60-42)15-25-23-9-8-21-13-22(48)14-30(45(21,6)24(23)11-12-44(25,31)5)62-41-39(57)36(54)40(20(4)58-41)63-43-38(56)35(53)33(51)29(17-47)61-43/h8,18-20,22-43,46-57H,7,9-17H2,1-6H3/t19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45? SMILES (mnx) [CH3:1][CH:18]([CH3:2])[CH2:7][CH2:10][CH:26]([CH:19]([CH3:3])[CH:31]1[CH:27]([O:59][CH:42]2[CH:37]([OH:55])[CH:34]([OH:52])[CH:32]([OH:50])[CH:28]([CH2:16][OH:46])[O:60]2)[CH2:15][CH:25]2[CH:23]3[CH2:9][CH:8]=[C:21]4[CH2:13][CH:22]([OH:48])[CH2:14][CH:30]([O:62][CH:41]5[CH:39]([OH:57])[CH:36]([OH:54])[CH:40]([O:63][CH:43]6[CH:38]([OH:56])[CH:35]([OH:53])[CH:33]([OH:51])[CH:29]([CH2:17][OH:47])[O:61]6)[CH:20]([CH3:4])[O:58]5)[C:45]4([CH3:6])[CH:24]3[CH2:11][CH2:12][C:44]21[CH3:5])[OH:49]

Parent-child relations graph

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