Chondrillasterol 3-[glucosyl-(1->4)-glucoside]

Properties Image MNX_ID MNXM120503 reference chebi:173308 formula C41H68O11 global charge 0 mol weight 736.984 InChIKey TZCNBGOTFQYFAL-CMDGGOBGSA-N InChI InChI=1S/C41H68O11/c1-7-23(21(2)3)9-8-22(4)27-12-13-28-26-11-10-24-18-25(14-16-40(24,5)29(26)15-17-41(27,28)6)49-38-36(48)34(46)37(31(20-43)51-38)52-39-35(47)33(45)32(44)30(19-42)50-39/h8-9,11,21-25,27-39,42-48H,7,10,12-20H2,1-6H3/b9-8+ SMILES CCC(/C=C/C(C)C1CCC2C3=CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC21C)C(C)C MNX internals InChI (mnx) InChI=1/C41H68O11/c1-7-23(21(2)3)9-8-22(4)27-12-13-28-26-11-10-24-18-25(14-16-40(24,5)29(26)15-17-41(27,28)6)49-38-36(48)34(46)37(31(20-43)51-38)52-39-35(47)33(45)32(44)30(19-42)50-39/h8-9,11,21-25,27-39,42-48H,7,10,12-20H2,1-6H3/b9-8+/t22?,23?,24?,25?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? SMILES (mnx) [CH3:1][CH2:7][CH:23](/[CH:9]=[CH:8]/[CH:22]([CH3:4])[CH:27]1[CH2:12][CH2:13][CH:28]2[C:26]3=[CH:11][CH2:10][CH:24]4[CH2:18][CH:25]([O:49][CH:38]5[CH:36]([OH:48])[CH:34]([OH:46])[CH:37]([O:52][CH:39]6[CH:35]([OH:47])[CH:33]([OH:45])[CH:32]([OH:44])[CH:30]([CH2:19][OH:42])[O:50]6)[CH:31]([CH2:20][OH:43])[O:51]5)[CH2:14][CH2:16][C:40]4([CH3:5])[CH:29]3[CH2:15][CH2:17][C:41]12[CH3:6])[CH:21]([CH3:2])[CH3:3]

Parent-child relations graph

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