25244471 -OEChem-04252422502D 136140 0 1 0 0 0 0 0999 V2000 6.5552 -0.1010 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 7.9052 -4.4180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1846 -3.5477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3902 -1.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8997 -0.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0336 -2.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9896 -0.0992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5770 -1.3875 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 6.5455 1.1892 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 5.1624 -0.0992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5551 -0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4356 -0.5387 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4356 0.4031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5236 0.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3314 -1.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2733 -1.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8224 -1.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3314 1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0478 -2.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7980 -2.5098 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6286 -0.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7910 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6286 0.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 1.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1059 -2.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3016 -1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 -1.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8346 -3.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8806 1.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2313 1.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0164 2.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7182 -0.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0744 2.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7182 0.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1676 -0.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5173 -3.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7909 -2.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8521 -1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5920 3.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4816 3.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9223 0.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0336 -1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8521 -2.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8827 4.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1775 -3.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7657 -1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6317 -0.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4977 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3638 -0.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4977 -2.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2298 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0958 -0.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9618 -1.0388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8279 -0.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6939 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4259 -1.0389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5599 -0.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2920 -0.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9618 -2.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1580 -1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4259 -2.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0240 -0.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8900 -1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7561 -0.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8900 -2.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3598 -1.1540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3182 1.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1258 -1.9835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6782 1.9744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9030 -1.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7001 -1.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 -2.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4422 1.9726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6068 0.5153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7247 1.3842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8559 1.5021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5661 -0.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7691 -0.0637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0160 -3.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1523 -4.1731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0185 -4.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6401 -0.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2416 -1.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0990 3.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9489 4.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0850 3.8712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8654 3.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0007 1.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2321 -2.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8522 -2.6901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4721 -2.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4989 4.4866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5152 4.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1039 -4.2821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7931 -3.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2511 -3.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3671 -1.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1642 -1.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6317 0.0813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7623 -0.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9652 -0.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8777 -2.0388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4977 -2.6588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1177 -2.0388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8312 -1.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6283 -1.5138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4944 -0.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6973 -0.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4249 -1.3488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2264 -0.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4293 -0.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2953 -1.5138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0924 -1.5138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9629 -1.3489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9585 -0.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1614 -0.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6905 -0.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8934 -0.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3418 -2.0388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9618 -2.6588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5818 -2.0388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7595 -1.5138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5565 -1.5139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8059 -2.0389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4259 -2.6589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0459 -2.0389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4226 -0.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6255 -0.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4270 -1.3489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.0661 -1.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2930 -0.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4461 -0.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.2700 -2.0389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8900 -2.6589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5100 -2.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 29 2 0 0 0 0 3 38 1 0 0 0 0 3 46 1 0 0 0 0 4 38 2 0 0 0 0 5 42 2 0 0 0 0 6 43 1 0 0 0 0 6 47 1 0 0 0 0 7 43 2 0 0 0 0 8 12 1 0 0 0 0 8 15 2 0 0 0 0 9 16 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 23 1 0 0 0 0 11 22 1 0 0 0 0 11 24 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 1 0 0 0 0 13 27 1 6 0 0 0 13 67 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 1 0 0 0 14 68 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 17 21 1 0 0 0 0 18 26 2 0 0 0 0 18 28 1 0 0 0 0 19 25 2 0 0 0 0 19 32 1 0 0 0 0 20 26 1 0 0 0 0 20 29 1 0 0 0 0 21 29 1 0 0 0 0 21 38 1 0 0 0 0 21 69 1 0 0 0 0 22 28 2 0 0 0 0 22 33 1 0 0 0 0 23 30 2 0 0 0 0 23 34 1 0 0 0 0 24 30 1 0 0 0 0 24 35 1 0 0 0 0 25 70 1 0 0 0 0 26 37 1 0 0 0 0 27 36 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 73 1 0 0 0 0 30 74 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 32 34 2 0 0 0 0 32 40 1 0 0 0 0 33 35 2 0 0 0 0 33 39 1 0 0 0 0 34 41 1 0 0 0 0 35 42 1 0 0 0 0 36 43 1 0 0 0 0 36 78 1 0 0 0 0 36 79 1 0 0 0 0 37 80 1 0 0 0 0 37 81 1 0 0 0 0 37 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 40 85 1 0 0 0 0 40 86 1 0 0 0 0 40 87 1 0 0 0 0 41 45 2 0 0 0 0 41 88 1 0 0 0 0 42 89 1 0 0 0 0 44 90 1 0 0 0 0 44 91 1 0 0 0 0 44 92 1 0 0 0 0 45 93 1 0 0 0 0 45 94 1 0 0 0 0 46 95 1 0 0 0 0 46 96 1 0 0 0 0 46 97 1 0 0 0 0 47 48 1 0 0 0 0 47 98 1 0 0 0 0 47 99 1 0 0 0 0 48 49 2 0 0 0 0 48100 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 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 52 53 1 0 0 0 0 52106 1 0 0 0 0 52107 1 0 0 0 0 53 54 1 0 0 0 0 53108 1 0 0 0 0 53109 1 0 0 0 0 54 55 1 0 0 0 0 54 60 1 1 0 0 0 54110 1 0 0 0 0 55 56 1 0 0 0 0 55111 1 0 0 0 0 55112 1 0 0 0 0 56 58 1 0 0 0 0 56113 1 0 0 0 0 56114 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 57 62 1 1 0 0 0 57115 1 0 0 0 0 58116 1 0 0 0 0 58117 1 0 0 0 0 59 61 1 0 0 0 0 59118 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 61 63 1 0 0 0 0 61123 1 0 0 0 0 61124 1 0 0 0 0 62125 1 0 0 0 0 62126 1 0 0 0 0 62127 1 0 0 0 0 63 64 1 0 0 0 0 63128 1 0 0 0 0 63129 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 64130 1 0 0 0 0 65131 1 0 0 0 0 65132 1 0 0 0 0 65133 1 0 0 0 0 66134 1 0 0 0 0 66135 1 0 0 0 0 66136 1 0 0 0 0 M CHG 3 1 2 9 -1 10 -1 M END > 25244471 > 1 > 2180 > 10 > 0 > 23 > AAADcfB/uAAAACAAAAAAAAAAAAAAAeIECBAgQIEAAAAWAECBgAAAHgAAAAAADQyhngICiJIIFACoA6zyzACCgCAlAiAImCEwRNgIJH7ItZGGEYhk4ADI6Ue82fOegAAAAAAAAAAAAAAAAAAAASAAAQAAAA== > magnesium;methyl (21S,22S)-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-16-vinyl-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;(21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-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 (21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-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 (21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-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 (21S,22S)-16-ethenyl-11-ethyl-12-methanoyl-17,21,26-trimethyl-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;(21S,22S)-11-ethyl-12-formyl-4-keto-22-[3-keto-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-17,21,26-trimethyl-16-vinyl-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/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51?;/m1./s1 > NSMUHPMZFPKNMZ-IOBBVUIDSA-M > 906.5145777 > C55H70MgN4O6 > 907.5 > CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C=O.[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=C)C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(C4=O)C(=O)OC)C)C=O.[Mg+2] > 114 > 906.5145777 > 0 > 66 > 4 > 1 > 1 > 0 > 0 > 2 > -1 > 1 10 7 1 11 6 1 8 6 1 9 7 > 1 5 255 > 10 19 8 10 23 8 11 22 8 11 24 8 12 17 8 13 27 6 14 31 5 15 25 8 16 17 8 16 20 8 18 26 8 18 28 8 19 25 8 19 32 8 20 26 8 21 38 3 22 28 8 23 30 8 23 34 8 24 30 8 32 34 8 54 60 5 57 62 5 8 12 8 8 15 8 9 16 8 9 18 8 $$$$