null CDK 0224162159 null 61 66 0 0 0 0 0 0 0 0999 V2000 11.3306 0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5374 0.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9442 -0.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1441 -0.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1511 0.0307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5578 -0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7647 -0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5648 0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1581 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9512 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2824 1.2601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4579 1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8752 1.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 1.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4867 2.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8465 0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0245 0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7586 -0.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1394 -0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4205 0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2308 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9149 -0.0232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4831 -1.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2889 -1.6168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8462 -2.0098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1353 -1.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2805 -2.6412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4963 -2.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6524 -2.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8455 -2.7171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1374 -2.2689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5555 -1.6091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1969 -0.8536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0492 -0.0337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1198 0.7937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4022 1.5740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8767 2.2543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5101 2.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 3.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0755 3.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9048 3.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7061 2.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0234 3.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4522 2.5830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0579 4.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2672 2.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3303 1.9536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6859 0.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7749 -0.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5886 -1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -2.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0844 -2.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6533 -3.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7732 -3.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6021 -2.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5019 -3.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9796 -4.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6626 -1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9506 -0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4821 1.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 21 22 1 0 0 0 0 22 12 1 0 0 0 0 22 23 2 0 0 0 0 23 8 1 0 0 0 0 20 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 19 1 0 0 0 0 26 28 1 0 0 0 0 29 28 1 4 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 4 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 13 1 0 0 0 0 42 46 1 4 0 0 0 38 47 1 1 0 0 0 37 48 1 1 0 0 0 36 49 1 6 0 0 0 35 50 1 6 0 0 0 34 51 1 6 0 0 0 33 52 1 1 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 53 55 1 0 0 0 0 32 56 1 1 0 0 0 31 57 1 6 0 0 0 57 58 1 0 0 0 0 26 59 1 6 0 0 0 18 60 1 0 0 0 0 17 61 1 0 0 0 0 M END > CHEBI:94348 > LSM-5004 > 2 > C46H62N4O11 > 847.006 > 846.44151 > 0 > CCC(C)N1CCC2(CC1)NC3=C4C(=O)C5=C(C(=C6C(=C5C3=N2)C(=O)[C@](O6)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)N4)C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O > InChI=1S/C46H62N4O11/c1-12-24(4)50-19-17-46(18-20-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-21-16-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)22(2)14-13-15-23(3)44(57)47-36(40(32)55)35(34)49-46/h13-16,21-22,24-27,30,37-38,41,49,52-54H,12,17-20H2,1-11H3,(H,47,57)/t22-,24?,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1 > KTYFUEQGJABZDI-OUQGXSTASA-N > LSM-5004 $$$$