25075992 -OEChem-04232415092D 99106 0 1 0 0 0 0 0999 V2000 8.3631 0.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8043 1.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2868 0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1810 3.9735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5818 4.8573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5155 -4.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8233 -2.9354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2688 2.5703 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.0741 -3.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2154 2.9656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2154 2.0980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2135 2.8595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8937 3.5065 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7396 1.7501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7396 3.3134 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1160 2.5318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8937 1.5571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 1.6642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 3.3994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8160 4.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6137 4.7116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1846 4.0582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7609 2.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2688 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7128 2.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7609 4.2862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7128 2.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4648 3.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6869 -0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5478 2.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6058 3.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4976 5.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5149 -4.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0353 -3.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1305 -4.8925 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0702 -4.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8549 -5.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1691 1.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 3.6502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3236 3.7502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3589 3.2856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4268 1.1491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6332 4.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2077 4.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5930 5.5613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4646 4.6113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9228 2.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3755 2.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2158 1.2007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1022 2.2057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5007 1.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6827 4.9013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5007 3.5482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1022 2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.7719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1366 0.3912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4072 1.9511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9145 3.5919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1225 3.6820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 0.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3150 -0.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1830 -0.5345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3005 3.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9793 2.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7951 2.1976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 5.4363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 5.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 4.3624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0446 2.8049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8693 2.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1671 3.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1154 5.9060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4454 6.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8798 5.8016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -5.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 -5.1521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6842 -4.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2589 -5.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -6.4498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4509 -6.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 1 0 0 0 1 71 1 0 0 0 0 19 2 1 1 0 0 0 2 72 1 0 0 0 0 3 20 1 0 0 0 0 3 33 1 0 0 0 0 22 4 1 6 0 0 0 4 35 1 0 0 0 0 5 25 1 0 0 0 0 5 36 1 0 0 0 0 29 6 1 1 0 0 0 6 37 1 0 0 0 0 7 31 1 0 0 0 0 7 38 1 0 0 0 0 8 38 2 0 0 0 0 9 45 2 0 0 0 0 10 46 2 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 11 32 1 0 0 0 0 12 40 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 6 0 0 0 13 22 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 50 1 0 0 0 0 15 17 1 0 0 0 0 15 51 1 6 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 52 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 18 53 1 0 0 0 0 19 26 1 0 0 0 0 20 54 1 0 0 0 0 21 27 1 0 0 0 0 21 28 1 0 0 0 0 21 31 1 1 0 0 0 22 30 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 24 58 1 1 0 0 0 25 59 1 0 0 0 0 26 29 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 30 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 34 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 35 81 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 36 84 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 37 87 1 0 0 0 0 37 88 1 0 0 0 0 37 89 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 40 42 2 0 0 0 0 41 43 1 0 0 0 0 41 90 1 0 0 0 0 42 44 1 0 0 0 0 42 91 1 0 0 0 0 43 44 2 0 0 0 0 43 92 1 0 0 0 0 44 93 1 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47 94 1 0 0 0 0 48 95 1 0 0 0 0 48 96 1 0 0 0 0 49 97 1 0 0 0 0 49 98 1 0 0 0 0 49 99 1 0 0 0 0 M END > 25075992 > 1 > 1380 > 11 > 2 > 10 > AAADcfB/PAAAAAAAAAAAAAAAAAAAAeMEAAA8YMGCB4gWAGABAAAAHgAACAAAD3zhmAYyyIMABgCIAiXSWACCAAAlAgAIiAEIbMgLJjrAtZmGcYhnxCHb6cf9+P+PgAAAAAACAADQAAaUADSgAaEADSgAAA== > [(1S,4S,5R,6S,8R,9R,10S,13S,16S,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(3-methyl-2,5-dioxo-pyrrolidin-1-yl)benzoate > 2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoic acid [(1S,4S,5R,6S,8R,9R,10S,13S,16S,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl ester > [(1S,4S,5R,6S,8R,9R,10S,13S,16S,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate > [(1S,4S,5R,6S,8R,9R,10S,13S,16S,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate > [(1S,4S,5R,6S,8R,9R,10S,13S,16S,18S)-11-ethyl-4,6,16,18-tetramethoxy-8,9-bis(oxidanyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[3-methyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate > 2-(2,5-diketo-3-methyl-pyrrolidino)benzoic acid [(1S,4S,5R,6S,8R,9R,10S,13S,16S,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl ester > InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21-,22?,24+,25+,27?,28+,29?,30+,33+,34+,35-,36+,37+/m1/s1 > XLTANAWLDBYGFU-PVCZWYEBSA-N > 1 > 682.34654580 > C37H50N2O10 > 682.8 > CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C > CCN1C[C@@]2(CC[C@@H]([C@]34[C@H]1[C@@]([C@H](C23)OC)([C@]5(C[C@@H]([C@H]6CC4C5[C@H]6OC)OC)O)O)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C > 144 > 682.34654580 > 0 > 49 > 10 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 1 5 13 16 6 14 20 3 15 51 6 16 23 3 18 25 3 19 2 5 21 31 5 24 58 5 39 40 8 39 41 8 22 4 6 40 42 8 41 43 8 42 44 8 43 44 8 47 49 3 29 6 5 $$$$