53785870 -OEChem-04262422072D 121120 0 0 0 0 0 0 0999 V2000 6.5991 10.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 8.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 8.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 7.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9002 15.0249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6323 16.0249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9313 0.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9002 14.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6323 17.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0342 13.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7663 13.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4983 17.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7663 17.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0342 12.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7663 12.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4983 18.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7663 18.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9002 12.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6323 19.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7663 15.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0653 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0653 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4672 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4672 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 9.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 10.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 8.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4672 8.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 10.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 9.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 8.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 9.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 10.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 8.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0653 8.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9313 8.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 9.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 9.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 8.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7973 8.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4372 14.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1692 16.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8221 14.1076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4236 13.4173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3768 13.4173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9783 14.1076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7104 16.9423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1089 17.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1557 17.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5542 16.9423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4236 12.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8221 11.9423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9783 11.9423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3768 12.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1089 18.4173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7104 19.1076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5542 19.1076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1557 18.4173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5017 11.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2988 11.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0308 19.4999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2337 19.4999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6759 2.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2773 2.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4547 1.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8532 0.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7362 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 9.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 9.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 9.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 9.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 10.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 10.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 10.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 10.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9347 7.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7318 7.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8657 9.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0687 9.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9313 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4683 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.8099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 10.8099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 9.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 9.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 10.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 10.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 10.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 10.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0653 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3298 9.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5328 9.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8702 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 10.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 9.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3513 9.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1982 9.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9713 10.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0452 9.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 9.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4252 8.3931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4873 7.8931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3343 8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1073 8.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 28 1 0 0 0 0 2108 1 0 0 0 0 3 30 1 0 0 0 0 3109 1 0 0 0 0 4 39 2 0 0 0 0 5 40 2 0 0 0 0 6 46 2 0 0 0 0 7 10 1 0 0 0 0 7 22 2 0 0 0 0 8 11 1 0 0 0 0 8 22 2 0 0 0 0 9 25 1 0 0 0 0 9 94 1 0 0 0 0 9 95 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 53 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 54 1 0 0 0 0 12 16 1 0 0 0 0 12 55 1 0 0 0 0 12 56 1 0 0 0 0 13 17 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 14 18 1 0 0 0 0 14 59 1 0 0 0 0 14 60 1 0 0 0 0 15 19 1 0 0 0 0 15 61 1 0 0 0 0 15 62 1 0 0 0 0 16 20 1 0 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 17 20 1 0 0 0 0 17 65 1 0 0 0 0 17 66 1 0 0 0 0 18 21 1 0 0 0 0 18 67 1 0 0 0 0 18 68 1 0 0 0 0 19 21 1 0 0 0 0 19 69 1 0 0 0 0 19 70 1 0 0 0 0 20 71 1 0 0 0 0 20 72 1 0 0 0 0 21 73 1 0 0 0 0 21 74 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 75 1 0 0 0 0 23 76 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 77 1 0 0 0 0 25 78 1 0 0 0 0 26 28 1 0 0 0 0 26 79 1 0 0 0 0 27 29 2 0 0 0 0 27 80 1 0 0 0 0 28 30 2 0 0 0 0 29 30 1 0 0 0 0 29 81 1 0 0 0 0 31 33 1 0 0 0 0 31 37 1 0 0 0 0 31 82 1 0 0 0 0 31 83 1 0 0 0 0 32 34 1 0 0 0 0 32 38 1 0 0 0 0 32 84 1 0 0 0 0 32 85 1 0 0 0 0 33 39 1 0 0 0 0 33 86 1 0 0 0 0 33 87 1 0 0 0 0 34 40 1 0 0 0 0 34 88 1 0 0 0 0 34 89 1 0 0 0 0 35 36 1 0 0 0 0 35 41 1 0 0 0 0 35 90 1 0 0 0 0 35 91 1 0 0 0 0 36 46 1 0 0 0 0 36 92 1 0 0 0 0 36 93 1 0 0 0 0 37 42 2 3 0 0 0 37 96 1 0 0 0 0 38 43 2 3 0 0 0 38 97 1 0 0 0 0 41 47 2 3 0 0 0 41 98 1 0 0 0 0 42 44 1 0 0 0 0 42 99 1 0 0 0 0 43 45 1 0 0 0 0 43100 1 0 0 0 0 44 49 1 0 0 0 0 44101 1 0 0 0 0 44102 1 0 0 0 0 45 50 1 0 0 0 0 45103 1 0 0 0 0 45104 1 0 0 0 0 46 51 1 0 0 0 0 47 48 1 0 0 0 0 47105 1 0 0 0 0 48 52 1 0 0 0 0 48106 1 0 0 0 0 48107 1 0 0 0 0 49110 1 0 0 0 0 49111 1 0 0 0 0 49112 1 0 0 0 0 50113 1 0 0 0 0 50114 1 0 0 0 0 50115 1 0 0 0 0 51116 1 0 0 0 0 51117 1 0 0 0 0 51118 1 0 0 0 0 52119 1 0 0 0 0 52120 1 0 0 0 0 52121 1 0 0 0 0 M END > 53785870 > 0 > 672 > 9 > 3 > 18 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABAAAAHgAQCAAADCzBmAQzDoJABgCoAqDSLAACAAAgIAAIiIEGiIgJJjKCkROCcAEk0BEJmAeQ0LAOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > InChI=1S/C14H22O3.C13H22N2.C8H11NO2.C8H14O/c1-3-5-7-9-11-13(15)17-14(16)12-10-8-6-4-2;1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;9-4-3-6-1-2-7(10)8(11)5-6;1-3-4-5-6-7-8(2)9/h5-8H,3-4,9-12H2,1-2H3;12-13H,1-10H2;1-2,5,10-11H,3-4,9H2;4-5H,3,6-7H2,1-2H3 > DYLUPHIZOQXUIV-UHFFFAOYSA-N > 723.51863693 > C43H69N3O6 > 724.0 > CCC=CCCC(=O)C.CCC=CCCC(=O)OC(=O)CCC=CCC.C1CCC(CC1)N=C=NC2CCCCC2.C1=CC(=C(C=C1CCN)O)O > CCC=CCCC(=O)C.CCC=CCCC(=O)OC(=O)CCC=CCC.C1CCC(CC1)N=C=NC2CCCCC2.C1=CC(=C(C=C1CCN)O)O > 152 > 723.51863693 > 0 > 52 > 0 > 0 > 0 > 3 > 0 > 4 > -1 > 1 5 255 > 24 26 8 24 27 8 26 28 8 27 29 8 28 30 8 29 30 8 37 42 1 38 43 1 41 47 1 $$$$