71587417 -OEChem-05072423012D 76 80 0 1 0 0 0 0 0999 V2000 14.7392 -1.3399 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 8.8964 -4.3310 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.2298 -4.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4928 -2.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 0.8578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8446 2.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9407 -0.7379 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.8980 -2.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5084 -1.2041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9881 0.1453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0268 0.1453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4753 1.4948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8348 -2.3796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2852 -1.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0017 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2986 -1.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8258 -3.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0149 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5804 -0.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7180 -1.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5026 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5191 -3.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5026 0.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5474 0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4262 -3.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7644 -1.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4676 -0.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 -0.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2521 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4676 0.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3011 -0.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2983 1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 0.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2986 2.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9686 3.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6850 2.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7314 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9820 3.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7181 -0.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2216 -0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5441 3.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7181 1.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9141 -4.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3893 3.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8445 -1.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0201 -1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7904 4.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3228 -1.9972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -3.1934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0612 -4.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9274 -3.9234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3282 -1.9732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6887 2.2965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2254 -1.5323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6428 0.0757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6738 0.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7917 1.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9228 1.7706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2930 2.2946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1463 -0.7137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2974 0.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0511 3.5347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9009 4.3986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0370 4.2483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4620 -5.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3384 -5.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3662 -4.3709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7731 3.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3511 -2.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -2.1850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4066 4.8637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4229 5.2945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3754 1.9567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5066 1.8387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6246 0.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 17 1 0 0 0 0 3 22 1 0 0 0 0 3 43 1 0 0 0 0 4 22 2 0 0 0 0 5 42 1 0 0 0 0 5 48 1 0 0 0 0 6 42 2 0 0 0 0 7 46 1 0 0 0 0 8 46 2 0 0 0 0 9 16 2 0 0 0 0 9 20 1 0 0 0 0 10 19 1 0 0 0 0 10 24 2 0 0 0 0 11 27 1 0 0 0 0 11 30 1 0 0 0 0 11 56 1 0 0 0 0 12 34 1 0 0 0 0 12 36 2 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 22 1 1 0 0 0 13 49 1 0 0 0 0 14 16 1 0 0 0 0 14 19 2 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 20 2 0 0 0 0 18 25 1 0 0 0 0 19 21 1 0 0 0 0 20 26 1 0 0 0 0 21 23 2 0 0 0 0 21 31 1 0 0 0 0 23 24 1 0 0 0 0 23 32 1 0 0 0 0 24 29 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 28 33 2 0 0 0 0 28 39 1 0 0 0 0 29 34 2 0 0 0 0 29 54 1 0 0 0 0 30 33 1 0 0 0 0 30 37 2 0 0 0 0 31 40 2 0 0 0 0 31 55 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 42 1 0 0 0 0 34 35 1 0 0 0 0 35 38 2 0 0 0 0 35 41 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 37 60 1 0 0 0 0 38 44 1 0 0 0 0 39 45 2 0 0 0 0 39 61 1 0 0 0 0 40 46 1 0 0 0 0 40 62 1 0 0 0 0 41 63 1 0 0 0 0 41 64 1 0 0 0 0 41 65 1 0 0 0 0 43 66 1 0 0 0 0 43 67 1 0 0 0 0 43 68 1 0 0 0 0 44 47 2 0 0 0 0 44 69 1 0 0 0 0 45 70 1 0 0 0 0 45 71 1 0 0 0 0 47 72 1 0 0 0 0 47 73 1 0 0 0 0 48 74 1 0 0 0 0 48 75 1 0 0 0 0 48 76 1 0 0 0 0 M CHG 3 1 2 2 -1 7 -1 M END > 71587417 > 1 > 2090 > 11 > 1 > 7 > AAADceB/uAAAACAAAAAAAAAAAAAAAQIECBAAAAAAAAAAAAAAAAAAHgAQAAAADQyBgAICCALABACoAyTyTACAAAAgIgAICAEwAFgIBB4AIAAEEAAH4ACIoYOIyGCMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > magnesium;(E)-3-[(3R)-3,12-bis(methoxycarbonyl)-17,21,26-trimethyl-4-oxido-11,16-divinyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13,15(24),16,18,20(23),21-dodecaen-22-yl]prop-2-enoate > magnesium;(E)-3-[(3R)-11,16-bis(ethenyl)-3,12-bis(methoxycarbonyl)-17,21,26-trimethyl-4-oxido-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13,15(24),16,18,20(23),21-dodecaen-22-yl]-2-propenoate > magnesium;(E)-3-[(3R)-11,16-bis(ethenyl)-3,12-bis(methoxycarbonyl)-17,21,26-trimethyl-4-oxido-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13,15(24),16,18,20(23),21-dodecaen-22-yl]prop-2-enoate > magnesium;(E)-3-[(3R)-11,16-bis(ethenyl)-3,12-bis(methoxycarbonyl)-17,21,26-trimethyl-4-oxido-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13,15(24),16,18,20(23),21-dodecaen-22-yl]prop-2-enoate > magnesium;(E)-3-[(3R)-11,16-bis(ethenyl)-3,12-bis(methoxycarbonyl)-17,21,26-trimethyl-4-oxidanidyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13,15(24),16,18,20(23),21-dodecaen-22-yl]prop-2-enoate > magnesium;(E)-3-[(3R)-3,12-dicarbomethoxy-17,21,26-trimethyl-4-oxido-11,16-divinyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13,15(24),16,18,20(23),21-dodecaen-22-yl]acrylate > InChI=1S/C36H30N4O7.Mg/c1-8-18-15(3)21-12-22-16(4)20(10-11-27(41)42)32(39-22)30-31(36(45)47-7)34(43)28-17(5)23(40-33(28)30)13-25-19(9-2)29(35(44)46-6)26(38-25)14-24(18)37-21;/h8-14,31,38,43H,1-2H2,3-7H3,(H,41,42);/q;+2/p-2/b11-10+,21-12?,25-13?,26-14?,32-30?;/t31-;/m1./s1 > CWLZENTWIZFJMW-XUGDHDJXSA-L > 652.1808409 > C36H28MgN4O7 > 652.9 > CC1=C(C2=NC1=CC3=NC(=C4C(C(=C5C4=NC(=C5C)C=C6C(=C(C(=C2)N6)C(=O)OC)C=C)[O-])C(=O)OC)C(=C3C)C=CC(=O)[O-])C=C.[Mg+2] > CC1=C(C2=NC1=CC3=NC(=C4[C@H](C(=C5C4=NC(=C5C)C=C6C(=C(C(=C2)N6)C(=O)OC)C=C)[O-])C(=O)OC)C(=C3C)/C=C/C(=O)[O-])C=C.[Mg+2] > 165 > 652.1808409 > 0 > 48 > 1 > 0 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 10 19 8 10 24 8 11 27 8 11 30 8 12 34 8 12 36 8 13 22 5 14 16 8 14 19 8 15 16 8 15 18 8 18 20 8 19 21 8 20 26 8 21 23 8 23 24 8 24 29 8 26 27 8 27 28 8 28 33 8 29 34 8 30 33 8 30 37 8 34 35 8 35 38 8 36 37 8 36 38 8 9 16 8 9 20 8 $$$$