null CDK 0224162157 null 43 49 0 0 0 0 0 0 0 0999 V2000 4.4703 -2.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0223 -1.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7674 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3194 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1264 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6784 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4235 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6165 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0645 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2575 0.7556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 0.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9604 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2929 -1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6255 -0.6422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8804 0.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5214 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8185 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5636 -1.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4595 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0925 0.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1624 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3896 1.6387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9694 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8262 2.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4581 2.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5629 1.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4854 0.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0374 0.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7825 1.4672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8444 0.5110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3964 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2034 0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4583 0.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9063 -0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0993 -0.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2653 -0.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8173 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6243 0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8792 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3272 -0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5202 -0.7882 0.0000 C 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 4 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 3 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 11 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 19 1 0 0 0 0 19 14 1 0 0 0 0 19 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 17 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 25 28 1 0 0 0 0 6 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 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 32 1 0 0 0 0 35 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 38 1 0 0 0 0 M END > CHEBI:93762 > LSM-4269 > 2 > C33H38N4O6 > 586.679 > 586.27913 > 0 > CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7 > InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3 > UWKQSNNFCGGAFS-UHFFFAOYSA-N > LSM-4269 $$$$