kansuiphorin B

Properties Image MNX_ID MNXM105944 reference chebi:66139 formula C54H90O10 global charge 0 mol weight 899.304 InChIKey DQVMDPSQAAGKSN-LZYXWQDISA-N InChI InChI=1S/C54H90O10/c1-10-12-14-16-18-20-21-22-23-25-26-28-30-32-41(55)61-36-52-47(64-52)43-44-50(8,9)53(44,63-42(56)33-31-29-27-24-19-17-15-13-11-2)35-39(6)51(45(43)57)34-38(5)46(54(51,60)49(52)59)62-48(58)40(7)37(3)4/h34,37,39-40,43-44,46-47,49,59-60H,10-33,35-36H2,1-9H3/t39-,40?,43+,44-,46+,47-,49-,51+,52-,53+,54-/m1/s1 SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@]12O[C@@H]1[C@@H]1C(=O)[C@]3(C=C(C)[C@H](OC(=O)C(C)C(C)C)[C@@]3(O)[C@@H]2O)[C@H](C)C[C@]2(OC(=O)CCCCCCCCCCC)[C@H]1C2(C)C MNX internals InChI (mnx) InChI=1/C54H90O10/c1-10-12-14-16-18-20-21-22-23-25-26-28-30-32-41(55)61-36-52-47(64-52)43-44-50(8,9)53(44,63-42(56)33-31-29-27-24-19-17-15-13-11-2)35-39(6)51(45(43)57)34-38(5)46(54(51,60)49(52)59)62-48(58)40(7)37(3)4/h34,37,39-40,43-44,46-47,49,59-60H,10-33,35-36H2,1-9H3/t39-,40?,43+,44-,46+,47-,49-,51+,52-,53+,54-/m1/s1 SMILES (mnx) [CH3:1][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][C:41](=[O:55])[O:61][CH2:36][C@@:52]12[C@@H:47]([C@H:43]3[C@@H:44]4[C:50]([CH3:8])([CH3:9])[C@:53]4([O:63][C:42]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:24][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH3:2])=[O:56])[CH2:35][C@@H:39]([CH3:6])[C@@:51]4([CH:34]=[C:38]([CH3:5])[C@H:46]([O:62][C:48]([CH:40]([CH3:7])[CH:37]([CH3:3])[CH3:4])=[O:58])[C@@:54]4([OH:60])[C@@H:49]1[OH:59])[C:45]3=[O:57])[O:64]2

Parent-child relations graph

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