decatromicin A

Properties Image Occurences in reactions MNX_ID MNXM104262 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C45H57ClN2O10 charge 0 mass 820.37017 reference chebi:65728 InChIKey YKLXDAWPGVZXKC-NMNDIUEASA-N InChI InChI=1S/C45H57ClN2O10/c1-7-26-21-45-39(51)34(42(55)58-45)38(50)44(8-2)27(12-10-9-11-23(3)20-43(45,6)22-29(26)41(53)54)14-15-28-30(44)16-13-24(4)37(28)57-33-19-32(49)35(25(5)56-33)48-40(52)36-31(46)17-18-47-36/h9-10,14-15,17-18,20,22,24-28,30,32-33,35,37,47,49,51H,7-8,11-13,16,19,21H2,1-6H3,(H,48,52)(H,53,54)/b10-9+,23-20+/t24-,25+,26-,27+,28-,30+,32+,33-,35+,37-,43-,44+,45+/m0/s1 SMILES CC[C@H]1C[C@@]23OC(=O)C(=C2O)C(=O)[C@]2(CC)[C@@H](C=C[C@@H]4[C@@H](O[C@H]5C[C@@H](O)[C@H](NC(=O)c6[nH]ccc6Cl)[C@@H](C)O5)[C@@H](C)CC[C@H]42)C/C=C/C/C(C)=C/[C@@]3(C)C=C1C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph