16070025 -OEChem-03292402442D 135139 0 1 0 0 0 0 0999 V2000 6.6129 -0.1191 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 8.0110 -4.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3151 -3.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5207 -1.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0207 -0.9662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9780 -2.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9434 4.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0994 -0.0924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6504 -1.4139 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 6.6181 1.2290 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 5.1995 -0.0924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5825 -0.5432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5825 0.4228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6794 -0.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3903 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3810 -1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4242 -1.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9285 -2.5650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6471 0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1334 -2.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9404 -3.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3783 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1672 -2.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8764 -2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3016 -0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3579 1.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4242 1.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9214 -2.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5786 -3.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1011 2.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8442 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9426 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 2.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1001 -1.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4146 -2.6256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6519 -0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6161 -2.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9764 -2.2026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.6955 -2.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8970 -1.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3352 -2.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9104 1.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7182 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6519 0.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1779 -1.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6767 3.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1337 -2.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7182 0.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2573 -1.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0543 -2.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2925 -3.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8543 -3.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5423 3.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9223 -1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8528 -3.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4588 -1.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3080 -3.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8192 -1.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9223 0.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5382 -1.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7397 -1.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7734 -2.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7307 -4.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4161 -2.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4693 -1.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9274 -1.5679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7185 -1.6653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2563 -2.0388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7537 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8716 1.4039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0028 1.5218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7551 -0.3320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9640 -0.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7944 2.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0774 -3.3713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2136 -4.2374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0798 -4.1011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5064 -2.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8438 -2.8677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0697 -1.6009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2786 -1.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4715 -2.5759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2420 -2.8368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0331 -2.9342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3506 -1.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5595 -1.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7887 -1.8124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9976 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 2.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6315 -1.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8404 -1.0806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1837 3.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0336 4.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1697 3.9498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6802 -3.2598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4713 -3.3571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8038 -2.4139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5949 -2.5112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5078 -2.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7167 -1.9265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6771 -3.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2168 -4.2335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9079 -3.6938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2390 -3.1194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7786 -3.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4697 -3.2708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9261 3.5120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -1.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3777 -1.6017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.2820 -3.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9124 -0.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1213 -0.8691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2344 -4.3373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9237 -3.7953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3816 -3.1061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3656 -1.9909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1567 -2.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2977 1.4895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4288 1.3715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5469 0.5026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8154 -0.5623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.0155 -3.2288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.3442 -2.4159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5313 -2.0873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1153 -3.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.6550 -4.6565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3460 -4.1168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2396 -0.2226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 -0.5548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7604 -1.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8008 -2.6965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3404 -3.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0315 -2.8479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 21 2 0 0 0 0 3 28 1 0 0 0 0 3 57 1 0 0 0 0 4 28 2 0 0 0 0 5 34 1 0 0 0 0 5 58 1 0 0 0 0 6 34 2 0 0 0 0 7 53 2 0 0 0 0 8 14 1 0 0 0 0 8 19 2 0 0 0 0 9 17 1 0 0 0 0 9 24 1 0 0 0 0 10 27 1 0 0 0 0 10 31 1 0 0 0 0 11 36 1 0 0 0 0 11 44 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 6 0 0 0 12 66 1 0 0 0 0 13 19 1 0 0 0 0 13 22 1 1 0 0 0 13 67 1 0 0 0 0 14 15 2 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 25 1 0 0 0 0 16 68 1 0 0 0 0 16 69 1 0 0 0 0 17 20 2 0 0 0 0 18 21 1 0 0 0 0 18 28 1 1 0 0 0 18 70 1 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 22 71 1 0 0 0 0 22 72 1 0 0 0 0 22 73 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 32 1 0 0 0 0 25 34 1 0 0 0 0 25 74 1 0 0 0 0 25 75 1 0 0 0 0 26 27 2 0 0 0 0 26 76 1 0 0 0 0 27 30 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 30 33 2 0 0 0 0 30 46 1 0 0 0 0 31 33 1 0 0 0 0 31 42 2 0 0 0 0 32 36 2 0 0 0 0 32 80 1 0 0 0 0 33 53 1 0 0 0 0 35 37 1 0 0 0 0 35 41 1 0 0 0 0 35 51 1 1 0 0 0 35 81 1 0 0 0 0 36 43 1 0 0 0 0 37 39 1 0 0 0 0 37 82 1 0 0 0 0 37 83 1 0 0 0 0 38 40 1 0 0 0 0 38 45 1 0 0 0 0 38 52 1 1 0 0 0 38 84 1 0 0 0 0 39 40 1 0 0 0 0 39 85 1 0 0 0 0 39 86 1 0 0 0 0 40 87 1 0 0 0 0 40 88 1 0 0 0 0 41 47 1 0 0 0 0 41 89 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 48 2 0 0 0 0 43 54 1 0 0 0 0 44 48 1 0 0 0 0 45 49 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 50 1 0 0 0 0 47 97 1 0 0 0 0 47 98 1 0 0 0 0 48 59 1 0 0 0 0 49 56 1 0 0 0 0 49 99 1 0 0 0 0 49100 1 0 0 0 0 50 55 1 0 0 0 0 50101 1 0 0 0 0 50102 1 0 0 0 0 51103 1 0 0 0 0 51104 1 0 0 0 0 51105 1 0 0 0 0 52106 1 0 0 0 0 52107 1 0 0 0 0 52108 1 0 0 0 0 53109 1 0 0 0 0 54 62 1 0 0 0 0 54110 1 0 0 0 0 54111 1 0 0 0 0 55 63 1 0 0 0 0 55 64 1 0 0 0 0 55112 1 0 0 0 0 56 60 1 0 0 0 0 56113 1 0 0 0 0 56114 1 0 0 0 0 57115 1 0 0 0 0 57116 1 0 0 0 0 57117 1 0 0 0 0 58 61 1 0 0 0 0 58118 1 0 0 0 0 58119 1 0 0 0 0 59120 1 0 0 0 0 59121 1 0 0 0 0 59122 1 0 0 0 0 60 61 2 0 0 0 0 60 65 1 0 0 0 0 61123 1 0 0 0 0 62130 1 0 0 0 0 62131 1 0 0 0 0 62132 1 0 0 0 0 63124 1 0 0 0 0 63125 1 0 0 0 0 63126 1 0 0 0 0 64127 1 0 0 0 0 64128 1 0 0 0 0 64129 1 0 0 0 0 65133 1 0 0 0 0 65134 1 0 0 0 0 65135 1 0 0 0 0 M CHG 3 1 2 9 -1 10 -1 M END > 16070025 > 1 > 2130 > 10 > 0 > 22 > AAADcfB/uAAAACAAAAAAAAAAAAAAAeIECBAAAAAAAAAWAACBgAAAHgAAAAAADQyhngICiJIIFACoA6zyzACCgCAlAiAAmCEwRNgIJH7ItZGGEYhk4ADI6Ue82fOegAAAAAAAAAAAAAAAAAAAASAAAQAAAA== > magnesium;methyl (3R,21S,22S)-11-ethyl-16-formyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate > magnesium;(3R,21S,22S)-11-ethyl-16-formyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylic acid methyl ester > magnesium;methyl (3R,21S,22S)-11-ethyl-16-formyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate > magnesium;methyl (3R,21S,22S)-11-ethyl-16-formyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate > magnesium;methyl (3R,21S,22S)-11-ethyl-16-methanoyl-12,17,21,26-tetramethyl-4-oxidanylidene-22-[3-oxidanylidene-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate > magnesium;(3R,21S,22S)-11-ethyl-16-formyl-4-keto-22-[3-keto-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-12,17,21,26-tetramethyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylic acid methyl ester > InChI=1S/C54H71N4O6.Mg/c1-12-38-34(7)42-27-46-40(29-59)36(9)41(56-46)26-43-35(8)39(51(57-43)49-50(54(62)63-11)53(61)48-37(10)44(58-52(48)49)28-45(38)55-42)22-23-47(60)64-25-24-33(6)21-15-20-32(5)19-14-18-31(4)17-13-16-30(2)3;/h24,26-32,35,39,50H,12-23,25H2,1-11H3,(H-,55,56,57,58,59,61);/q-1;+2/p-1/b33-24+;/t31-,32-,35+,39+,50-;/m1./s1 > QXWRYZIMSXOOPY-SKHCYZARSA-M > 894.5145777 > C54H70MgN4O6 > 895.5 > CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=O)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C.[Mg+2] > CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=C2)[N-]6)C=O)C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C4=O)C(=O)OC)C)C.[Mg+2] > 114 > 894.5145777 > 0 > 65 > 5 > 0 > 1 > 0 > 0 > 2 > -1 > 1 10 7 1 9 7 > 1 5 255 > 10 27 8 10 31 8 11 36 8 11 44 8 12 16 6 13 22 5 14 15 8 15 17 8 17 20 8 18 28 5 19 26 8 20 23 8 23 24 8 24 32 8 26 27 8 27 30 8 30 33 8 31 33 8 31 42 8 32 36 8 35 51 5 38 52 5 42 44 8 8 14 8 8 19 8 9 17 8 9 24 8 $$$$