Hoduloside VIII

Properties Image MNX_ID MNXM126531 reference chebi:185871 formula C46H76O18 global charge 0 mol weight 917.096 InChIKey RDSYZBZVCGNHLV-MDWZMJQESA-N InChI InChI=1S/C46H76O18/c1-41(2,57)13-8-14-45(7,58)30-22-9-10-28-43(5)15-12-29(64-39-36(55)32(51)25(49)19-60-39)42(3,4)27(43)11-16-44(28,6)46(22,17-23(30)47)21-62-40-37(56)34(53)33(52)26(63-40)20-61-38-35(54)31(50)24(48)18-59-38/h8,13,22,24-40,48-58H,9-12,14-21H2,1-7H3/b13-8+ SMILES CC(C)(O)/C=C/CC(C)(O)C1C(=O)CC2(COC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C1CCC1C3(C)CCC(OC4OCC(O)C(O)C4O)C(C)(C)C3CCC12C MNX internals InChI (mnx) InChI=1/C46H76O18/c1-41(2,57)13-8-14-45(7,58)30-22-9-10-28-43(5)15-12-29(64-39-36(55)32(51)25(49)19-60-39)42(3,4)27(43)11-16-44(28,6)46(22,17-23(30)47)21-62-40-37(56)34(53)33(52)26(63-40)20-61-38-35(54)31(50)24(48)18-59-38/h8,13,22,24-40,48-58H,9-12,14-21H2,1-7H3/b13-8+/t22?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,43?,44?,45?,46? SMILES (mnx) [CH3:1][C:41]([CH3:2])(/[CH:13]=[CH:8]/[CH2:14][C:45]([CH3:7])([CH:30]1[CH:22]2[CH2:9][CH2:10][CH:28]3[C:43]4([CH3:5])[CH2:15][CH2:12][CH:29]([O:64][CH:39]5[CH:36]([OH:55])[CH:32]([OH:51])[CH:25]([OH:49])[CH2:19][O:60]5)[C:42]([CH3:3])([CH3:4])[CH:27]4[CH2:11][CH2:16][C:44]3([CH3:6])[C:46]2([CH2:21][O:62][CH:40]2[CH:37]([OH:56])[CH:34]([OH:53])[CH:33]([OH:52])[CH:26]([CH2:20][O:61][CH:38]3[CH:35]([OH:54])[CH:31]([OH:50])[CH:24]([OH:48])[CH2:18][O:59]3)[O:63]2)[CH2:17][C:23]1=[O:47])[OH:58])[OH:57]

Parent-child relations graph

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