compound 0213781

Properties Image Occurences in reactions MNX_ID MNXM1244584 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C88H142N4O55 charge 0 mass 2134.84375 reference envipathM:...ef093bf5a1d3 InChIKey QKTGLHOPNGTOFN-XMLLRGLFSA-N InChI InChI=1S/C88H142N4O55/c93-21-35-45(94)56(105)66(115)76(135-35)125-23-38-51(100)61(110)72(145-79-69(118)59(108)49(98)43(138-79)29-132-86(122)90-32-15-7-2-8-16-32)82(140-38)128-25-37-47(96)57(106)67(116)77(136-37)126-24-39-52(101)62(111)73(146-80-70(119)60(109)50(99)44(139-80)30-133-87(123)91-33-17-9-3-10-18-33)83(141-39)129-26-41-54(103)64(113)74(147-88(124)92-34-19-11-4-12-20-34)84(143-41)130-27-40-53(102)63(112)71(81(142-40)127-22-36-46(95)55(104)65(114)75(120)134-36)144-78-68(117)58(107)48(97)42(137-78)28-131-85(121)89-31-13-5-1-6-14-31/h31-61,63-68,70-84,93-110,112-117,119-120H,1-30H2,(H,89,121)(H,90,122)(H,91,123)(H,92,124)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,63+,64+,65-,66-,67-,68-,70-,71-,72-,73-,74-,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+/m1/s1 SMILES O=C(NC1CCCCC1)OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H]3O[C@H](OC[C@H]4O[C@H](OC[C@H]5O[C@H](OC[C@H]6O[C@H](OC[C@H]7O[C@H](O)[C@H](O)[C@@H](O)[C@@H]7O)[C@H](O[C@@H]7O[C@H](COC(=O)NC8CCCCC8)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@@H]6O)[C@H](OC(=O)NC6CCCCC6)[C@@H](O)[C@@H]5O)[C@H](O[C@@H]5O[C@H](COC(=O)NC6CCCCC6)[C@@H](O)[C@H](O)[C@H]5O)C(=O)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)C(=O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph