Ampeloside Bs1

Properties Image MNX_ID MNXM119163 reference chebi:176329 formula C45H74O20 global charge 0 mol weight 935.067 InChIKey OBNCZXYHSIJOME-UHFFFAOYSA-N InChI InChI=1S/C45H74O20/c1-17-5-8-45(58-16-17)18(2)30-26(65-45)10-21-19-9-23(49)22-11-25(24(50)12-44(22,4)20(19)6-7-43(21,30)3)59-40-36(56)34(54)38(29(15-48)62-40)63-42-37(57)39(32(52)28(14-47)61-42)64-41-35(55)33(53)31(51)27(13-46)60-41/h17-42,46-57H,5-16H2,1-4H3 SMILES CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C MNX internals InChI (mnx) InChI=1/C45H74O20/c1-17-5-8-45(58-16-17)18(2)30-26(65-45)10-21-19-9-23(49)22-11-25(24(50)12-44(22,4)20(19)6-7-43(21,30)3)59-40-36(56)34(54)38(29(15-48)62-40)63-42-37(57)39(32(52)28(14-47)61-42)64-41-35(55)33(53)31(51)27(13-46)60-41/h17-42,46-57H,5-16H2,1-4H3/t17?,18?,19?,20?,21?,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:17]1[CH2:5][CH2:8][C:45]2([CH:18]([CH3:2])[CH:30]3[CH:26]([CH2:10][CH:21]4[CH:19]5[CH2:9][CH:23]([OH:49])[CH:22]6[CH2:11][CH:25]([O:59][CH:40]7[CH:36]([OH:56])[CH:34]([OH:54])[CH:38]([O:63][CH:42]8[CH:37]([OH:57])[CH:39]([O:64][CH:41]9[CH:35]([OH:55])[CH:33]([OH:53])[CH:31]([OH:51])[CH:27]([CH2:13][OH:46])[O:60]9)[CH:32]([OH:52])[CH:28]([CH2:14][OH:47])[O:61]8)[CH:29]([CH2:15][OH:48])[O:62]7)[CH:24]([OH:50])[CH2:12][C:44]6([CH3:4])[CH:20]5[CH2:6][CH2:7][C:43]43[CH3:3])[O:65]2)[O:58][CH2:16]1

Parent-child relations graph

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