Madlongiside D

Properties Image MNX_ID MNXM127609 reference chebi:185911 formula C41H66O14 global charge 0 mol weight 782.965 InChIKey XOBTZVANUMVPCS-GZDAOABPSA-N InChI InChI=1S/C41H66O14/c1-19-26(46)28(48)29(49)33(53-19)54-30-27(47)24(45)17-52-34(30)55-35(51)41-12-10-36(2,3)14-21(41)20-8-9-25-37(4)15-23(44)32(50)38(5,18-42)31(37)22(43)16-40(25,7)39(20,6)11-13-41/h8,19,21-34,42-50H,9-18H2,1-7H3/t19-,21-,22+,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,34-,37+,38-,39+,40+,41-/m0/s1 SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]6[C@H](O)C[C@@]5(C)[C@]3(C)CC4)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C41H66O14/c1-19-26(46)28(48)29(49)33(53-19)54-30-27(47)24(45)17-52-34(30)55-35(51)41-12-10-36(2,3)14-21(41)20-8-9-25-37(4)15-23(44)32(50)38(5,18-42)31(37)22(43)16-40(25,7)39(20,6)11-13-41/h8,19,21-34,42-50H,9-18H2,1-7H3/t19-,21-,22+,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,34-,37+,38-,39+,40+,41-/m0/s1 SMILES (mnx) [CH3:1][C@H:19]1[C@H:26]([OH:46])[C@@H:28]([OH:48])[C@@H:29]([OH:49])[C@H:33]([O:54][C@@H:30]2[C@@H:27]([OH:47])[C@@H:24]([OH:45])[CH2:17][O:52][C@H:34]2[O:55][C:35]([C@:41]23[CH2:12][CH2:10][C:36]([CH3:2])([CH3:3])[CH2:14][C@H:21]2[C:20]2=[CH:8][CH2:9][C@@H:25]4[C@@:37]5([CH3:4])[CH2:15][C@H:23]([OH:44])[C@H:32]([OH:50])[C@@:38]([CH3:5])([CH2:18][OH:42])[C@@H:31]5[C@H:22]([OH:43])[CH2:16][C@@:40]4([CH3:7])[C@:39]2([CH3:6])[CH2:11][CH2:13]3)=[O:51])[O:53]1

Parent-child relations graph

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