null CDK 0225161905 null 38 41 0 0 0 0 0 0 0 0999 V2000 3.9641 -2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7877 -3.7289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4865 -4.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1195 -3.6382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8118 -2.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0182 -2.6472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0850 -2.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8977 -1.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1813 -1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6522 -0.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8394 -0.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5559 -1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7431 -1.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6014 -0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8266 -0.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1937 -0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3355 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1102 -2.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4596 -2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3633 -3.2123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8924 -3.8453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5921 -4.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7765 -4.7378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2612 -4.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4762 -5.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6606 -5.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3602 -6.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4554 -6.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9707 -5.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6703 -5.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1453 -4.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7863 -6.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0866 -6.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3016 -5.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9196 -3.8392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4938 -3.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1456 -4.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 -5.2251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 2 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 4 35 1 0 0 0 0 35 36 1 1 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 M END > CHEBI:119355 > LSM-30804 > 2 > C31H36N2O5 > 516.629 > 516.26242 > 0 > C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC=C(C=C4)C(=O)O)[C@@H](C)CO > InChI=1S/C31H36N2O5/c1-21-16-33(22(2)19-34)30(35)28-11-7-6-10-27(28)26-9-5-4-8-25(26)20-38-29(21)18-32(3)17-23-12-14-24(15-13-23)31(36)37/h4-15,21-22,29,34H,16-20H2,1-3H3,(H,36,37)/t21-,22-,29+/m0/s1 > QLSXNEUKVNJNBQ-IHMCZWCLSA-N > LSM-30804 $$$$