70680588 -OEChem-05132410512D 125129 0 1 0 0 0 0 0999 V2000 6.5691 1.7094 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 7.9191 -2.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1985 -1.7373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4041 -0.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5016 5.2017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9136 1.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0475 -0.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0035 1.7113 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 5.1763 1.7113 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 6.5908 0.4229 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 6.5594 2.9996 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 8.5690 1.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4495 1.2718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5375 2.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4495 2.2136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3453 -0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2872 0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6424 0.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6424 2.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 2.1822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8362 -0.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3453 3.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8049 3.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0618 -1.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8119 -0.6994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9259 0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2556 3.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1198 -1.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8945 3.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3155 0.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8485 -1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0303 4.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0883 4.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2452 2.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 2.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5312 -1.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1815 1.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8048 -0.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6059 5.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4955 5.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0475 0.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8966 6.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1914 -1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7796 0.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6456 1.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5116 0.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5116 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3777 1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3776 -0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3776 -1.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2436 -2.2284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2436 -3.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1096 -3.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1097 -1.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1096 -4.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9756 -5.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9756 -6.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8417 -4.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3737 0.6564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3321 2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8104 0.6253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8492 2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1397 -0.1731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4702 -0.3111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6722 3.8038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4597 3.7866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9169 0.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7140 0.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6207 2.3258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7386 3.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8698 3.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3116 3.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4428 3.1630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5608 2.2942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0299 -1.4966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1662 -2.3627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0324 -2.2264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5800 1.7467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7830 1.7467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1129 4.9678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9628 5.8317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0989 5.6816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.7773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.7034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4645 5.9797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1452 6.7964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3286 6.4771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1178 -2.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8070 -1.9296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2650 -1.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3810 0.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1781 0.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6456 1.8917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9010 -0.1207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2996 -0.8109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6877 0.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9146 1.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0677 1.8086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9882 -0.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5897 -0.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7670 -1.6207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1656 -2.3110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7806 -2.5384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6330 -3.1207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0316 -3.8110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7202 -3.8361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3217 -3.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4197 -2.2653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6466 -1.4184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7997 -1.1914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4990 -4.6207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8976 -5.3110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5126 -5.5384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3556 -6.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9756 -6.8484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5956 -6.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1517 -5.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3786 -4.4184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5317 -4.1915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 32 2 0 0 0 0 3 40 1 0 0 0 0 3 46 1 0 0 0 0 4 40 2 0 0 0 0 5 43 2 0 0 0 0 6 44 1 0 0 0 0 6 47 1 0 0 0 0 7 44 2 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 16 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 15 1 0 0 0 0 13 31 1 6 0 0 0 13 62 1 0 0 0 0 14 15 1 0 0 0 0 14 28 2 0 0 0 0 15 36 1 1 0 0 0 15 63 1 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 17 26 1 0 0 0 0 18 20 1 0 0 0 0 18 27 2 0 0 0 0 19 21 1 0 0 0 0 19 30 2 0 0 0 0 20 21 1 0 0 0 0 20 35 1 6 0 0 0 20 64 1 0 0 0 0 21 37 1 1 0 0 0 21 65 1 0 0 0 0 22 27 1 0 0 0 0 22 29 2 0 0 0 0 23 28 1 0 0 0 0 23 33 2 0 0 0 0 24 30 1 0 0 0 0 24 34 2 0 0 0 0 25 29 1 0 0 0 0 25 32 1 0 0 0 0 26 32 1 0 0 0 0 26 40 1 1 0 0 0 26 66 1 0 0 0 0 27 67 1 0 0 0 0 28 68 1 0 0 0 0 29 38 1 0 0 0 0 30 69 1 0 0 0 0 31 39 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 33 34 1 0 0 0 0 33 41 1 0 0 0 0 34 43 1 0 0 0 0 35 42 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 37 79 1 0 0 0 0 38 80 1 0 0 0 0 38 81 1 0 0 0 0 38 82 1 0 0 0 0 39 44 1 0 0 0 0 39 83 1 0 0 0 0 39 84 1 0 0 0 0 41 85 1 0 0 0 0 41 86 1 0 0 0 0 41 87 1 0 0 0 0 42 88 1 0 0 0 0 42 89 1 0 0 0 0 42 90 1 0 0 0 0 43 45 1 0 0 0 0 45 91 1 0 0 0 0 45 92 1 0 0 0 0 45 93 1 0 0 0 0 46 94 1 0 0 0 0 46 95 1 0 0 0 0 46 96 1 0 0 0 0 47 48 1 0 0 0 0 47 97 1 0 0 0 0 47 98 1 0 0 0 0 48 49 2 0 0 0 0 48 99 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 50100 1 0 0 0 0 50101 1 0 0 0 0 51102 1 0 0 0 0 51103 1 0 0 0 0 51104 1 0 0 0 0 52 53 1 0 0 0 0 52105 1 0 0 0 0 52106 1 0 0 0 0 53 54 1 0 0 0 0 53107 1 0 0 0 0 53108 1 0 0 0 0 54 55 1 0 0 0 0 54 57 1 6 0 0 0 54109 1 0 0 0 0 55 56 1 0 0 0 0 55110 1 0 0 0 0 55111 1 0 0 0 0 56 58 1 0 0 0 0 56112 1 0 0 0 0 56113 1 0 0 0 0 57114 1 0 0 0 0 57115 1 0 0 0 0 57116 1 0 0 0 0 58 59 1 0 0 0 0 58117 1 0 0 0 0 58118 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 59119 1 0 0 0 0 60120 1 0 0 0 0 60121 1 0 0 0 0 60122 1 0 0 0 0 61123 1 0 0 0 0 61124 1 0 0 0 0 61125 1 0 0 0 0 M CHG 5 1 2 8 -1 9 -1 10 -1 11 -1 M END > 70680588 > 1 > 1800 > 10 > 0 > 18 > AAADcfB/uAAAACAAAAAAAAAAAAAAAeLFixAgQIEAAAAWAECB4AAAHgAAAAAADQyhngICiJIIFACoA6TyTACCgCAlAiAAmCEwRNgIJH7ItZGGEYhk4ADI6Ue82fOegAAAAAAAAAAAAAAAAAAAASAAAQAAAA== > magnesium;methyl (1Z,3R,9Z,11R,12R,13Z,19Z,21S,22S)-16-acetyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(Z,7R)-3,7,11-trimethyldodec-2-enoxy]propyl]-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13,15,17,19-octaene-3-carboxylate > magnesium;(1Z,3R,9Z,11R,12R,13Z,19Z,21S,22S)-16-acetyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(Z,7R)-3,7,11-trimethyldodec-2-enoxy]propyl]-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13,15,17,19-octaene-3-carboxylic acid methyl ester > magnesium;methyl (1Z,3R,9Z,11R,12R,13Z,19Z,21S,22S)-16-acetyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(Z,7R)-3,7,11-trimethyldodec-2-enoxy]propyl]-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13,15,17,19-octaene-3-carboxylate > magnesium;methyl (1Z,3R,9Z,11R,12R,13Z,19Z,21S,22S)-16-acetyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(Z,7R)-3,7,11-trimethyldodec-2-enoxy]propyl]-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13,15,17,19-octaene-3-carboxylate > magnesium;methyl (1Z,3R,9Z,11R,12R,13Z,19Z,21S,22S)-16-ethanoyl-11-ethyl-12,17,21,26-tetramethyl-4-oxidanylidene-22-[3-oxidanylidene-3-[(Z,7R)-3,7,11-trimethyldodec-2-enoxy]propyl]-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13,15,17,19-octaene-3-carboxylate > magnesium;(1Z,3R,9Z,11R,12R,13Z,19Z,21S,22S)-16-acetyl-11-ethyl-4-keto-22-[3-keto-3-[(Z,7R)-3,7,11-trimethyldodec-2-enoxy]propyl]-12,17,21,26-tetramethyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13,15,17,19-octaene-3-carboxylic acid methyl ester > InChI=1S/C50H66N4O6.Mg/c1-12-34-29(6)36-25-41-43(33(10)55)31(8)38(52-41)23-37-30(7)35(19-20-42(56)60-22-21-28(5)18-14-17-27(4)16-13-15-26(2)3)47(53-37)45-46(50(58)59-11)49(57)44-32(9)39(54-48(44)45)24-40(34)51-36;/h21,23-27,29-30,34-35,46H,12-20,22H2,1-11H3,(H2-2,51,52,53,54,55,57);/q-2;+2/p-2/b28-21-,37-23-,40-24-;/t27-,29-,30+,34-,35+,46-;/m1./s1 > IPBBSCVFQJWHSD-ZBNZBKKMSA-L > 840.4676275 > C50H64MgN4O6-2 > 841.4 > CCC1C(C2=CC3=C(C(=C([N-]3)C=C4C(C(C(=C5C(C(=O)C6=C5[N-]C(=C6C)C=C1[N-]2)C(=O)OC)[N-]4)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)C)C)C)C(=O)C)C.[Mg+2] > CC[C@@H]\1[C@H](/C/2=C/C3=C(C(=C([N-]3)/C=C\4/[C@H]([C@@H](/C(=C/5\[C@H](C(=O)C6=C5[N-]C(=C6C)/C=C1\[N-]2)C(=O)OC)/[N-]4)CCC(=O)OC/C=C(/C)\CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C.[Mg+2] > 90.7 > 840.4676275 > -2 > 61 > 6 > 0 > 5 > 0 > 0 > 2 > -1 > 1 10 7 1 11 7 1 8 7 1 9 7 > 1 5 255 > 10 16 8 10 22 8 11 23 8 11 24 8 13 31 6 15 36 5 16 25 8 20 35 6 21 37 5 22 29 8 23 33 8 24 34 8 25 29 8 26 40 5 33 34 8 54 57 6 $$$$