57 59 0 0 1 0 0 0 0 0999 V2000 24.6914 -21.3664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.7649 -22.0198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5714 -22.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6914 -20.1063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.8850 -21.3664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.7649 -23.2799 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 22.4979 -22.6733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.7649 -19.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8850 -20.1063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.9585 -22.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8383 -23.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6914 -23.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4979 -23.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3779 -22.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0786 -17.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3779 -24.5400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3044 -22.6733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.7183 -13.4557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3044 -23.8867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5377 -25.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2645 -25.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2310 -22.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7183 -12.1489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.5981 -14.1091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2310 -24.5400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5515 -11.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7917 -11.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5981 -15.4626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4313 -13.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5515 -10.2354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.8652 -12.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4780 -16.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4780 -9.6286 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.6715 -9.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9852 -11.4955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3112 -15.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3579 -10.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4780 -8.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1912 -16.0693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3112 -14.1558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3579 -11.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0710 -15.3226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2378 -12.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0710 -14.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9509 -15.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2378 -13.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4313 -12.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7183 -16.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5714 -19.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7120 -17.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4926 -18.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9097 -18.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9845 -23.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7894 -24.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9994 -22.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5540 -23.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3633 -24.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9 15 1 1 0 0 13 16 1 0 0 0 14 17 1 0 0 0 18 15 1 6 0 0 16 19 1 0 0 0 16 20 1 6 0 0 16 21 1 1 0 0 17 22 1 6 0 0 18 23 1 0 0 0 18 24 1 0 0 0 19 25 1 1 0 0 23 26 1 0 0 0 23 27 1 6 0 0 24 28 1 0 0 0 24 29 1 6 0 0 26 30 1 0 0 0 27 31 1 0 0 0 28 32 1 0 0 0 30 33 1 0 0 0 30 34 1 6 0 0 31 35 2 0 0 0 32 36 1 0 0 0 33 37 1 0 0 0 33 38 1 6 0 0 36 39 1 0 0 0 36 40 2 0 0 0 37 41 2 0 0 0 39 42 1 0 0 0 41 43 1 0 0 0 42 44 1 0 0 0 42 45 1 6 0 0 43 46 2 0 0 0 8 9 1 0 0 0 17 19 1 0 0 0 44 46 1 0 0 0 29 47 1 0 0 0 1 2 1 0 0 0 1 3 1 6 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 1 0 0 7 3 1 1 0 0 4 8 1 0 0 0 5 9 1 0 0 0 5 10 1 6 0 0 6 11 1 0 0 0 28 48 1 6 0 0 6 12 1 0 0 0 7 13 1 0 0 0 7 14 1 0 0 0 4 49 1 1 0 0 48 50 1 0 0 0 50 51 1 0 0 0 50 52 2 0 0 0 25 53 1 0 0 0 53 54 1 0 0 0 53 55 2 0 0 0 54 56 1 0 0 0 56 57 1 0 0 0 M END > CHEBI:34814 > Leucomycin A4 > 2 > Leucomycin A4 > C41H67NO15 > 813.970 > 813.45107 > 0 > CCCC(=O)O[C@H]1[C@H](C)O[C@H](C[C@@]1(C)O)O[C@@H]1[C@@H](C)O[C@@H](O[C@H]2[C@@H](CC=O)C[C@@H](C)[C@@H](O)\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@@H]2OC)[C@H](O)[C@H]1N(C)C > InChI=1S/C41H67NO15/c1-11-15-31(46)55-39-26(5)52-33(22-41(39,7)49)56-36-25(4)53-40(35(48)34(36)42(8)9)57-37-28(18-19-43)20-23(2)29(45)17-14-12-13-16-24(3)51-32(47)21-30(38(37)50-10)54-27(6)44/h12-14,17,19,23-26,28-30,33-40,45,48-49H,11,15-16,18,20-22H2,1-10H3/b13-12+,17-14+/t23-,24-,25-,26+,28+,29+,30-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1 > XVTMRUKLMXPAKO-RXUUKHTDSA-N > 18361-46-1 > C14057 > C00018742 $$$$