6438440 -OEChem-03282419062D 58 62 0 1 0 0 0 0 0999 V2000 7.3929 1.4896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8068 -0.5656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4638 -1.7695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7825 -1.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4147 1.2817 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5128 -0.3436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5945 0.3866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8136 -2.4149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8413 -4.0327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7967 1.2817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6057 0.6939 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9877 1.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1057 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8387 0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1057 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0742 1.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 2.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1364 -1.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5646 -0.7746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7218 -0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1787 2.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8628 -0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5711 3.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6404 3.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0849 4.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0490 -2.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1265 4.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2651 2.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7019 2.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 -2.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8851 -3.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4152 -3.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3414 1.2429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1815 0.5862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 2.0291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5078 1.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3263 0.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3473 2.9897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5958 3.4413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1442 2.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2435 3.0738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9511 3.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2604 3.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7728 4.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4870 -2.4282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4386 4.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7635 2.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2003 1.4339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2916 2.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8935 3.0303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1122 2.6322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3664 0.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4998 0.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6336 -0.4748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9950 -1.8221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3898 -4.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0351 -3.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 29 1 0 0 0 0 2 20 1 0 0 0 0 2 31 1 0 0 0 0 3 19 2 0 0 0 0 4 22 2 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 11 1 0 0 0 0 7 22 1 0 0 0 0 7 35 1 0 0 0 0 8 30 1 0 0 0 0 8 33 1 0 0 0 0 8 56 1 0 0 0 0 9 32 1 0 0 0 0 9 33 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 23 2 0 0 0 0 14 20 2 0 0 0 0 14 34 1 0 0 0 0 15 24 2 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 22 1 0 0 0 0 18 26 2 0 0 0 0 19 20 1 0 0 0 0 21 28 2 0 0 0 0 21 42 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 24 27 1 0 0 0 0 24 44 1 0 0 0 0 25 27 2 0 0 0 0 25 45 1 0 0 0 0 26 30 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 32 2 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 M END > 6438440 > 1 > 945 > 6 > 2 > 5 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWLFgAAwQAAAAAAAAFgBwAAAHgAUAAAADgzBngY/0JfZlACoAzV3dAKCiC2xMqAp2YD4dNiKaCLAmbWVIAholQLYyacQgMAPgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (9S,14E)-9-(1,1-dimethylallyl)-14-(1H-imidazol-5-ylmethylene)-2,11-dimethoxy-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione > (9S,14E)-14-(1H-imidazol-5-ylmethylidene)-2,11-dimethoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione > (9S,14E)-14-(1H-imidazol-5-ylmethylidene)-2,11-dimethoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione > (9S,14E)-14-(1H-imidazol-5-ylmethylidene)-2,11-dimethoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione > (9S,14E)-14-(1H-imidazol-5-ylmethylidene)-2,11-dimethoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione > (9S,14E)-9-(1,1-dimethylallyl)-14-(1H-imidazol-5-ylmethylene)-2,11-dimethoxy-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-quinone > InChI=1S/C24H25N5O4/c1-6-22(2,3)23-12-19(32-4)21(31)28-18(11-15-13-25-14-26-15)20(30)27-24(23,28)29(33-5)17-10-8-7-9-16(17)23/h6-14H,1H2,2-5H3,(H,25,26)(H,27,30)/b18-11+/t23-,24?/m1/s1 > SOHAVULMGIITDH-WNYKETQYSA-N > 3.4 > 447.19065430 > C24H25N5O4 > 447.5 > CC(C)(C=C)C12C=C(C(=O)N3C1(NC(=O)C3=CC4=CN=CN4)N(C5=CC=CC=C25)OC)OC > CC(C)(C=C)[C@]12C=C(C(=O)N\3C1(NC(=O)/C3=C\C4=CN=CN4)N(C5=CC=CC=C25)OC)OC > 99.8 > 447.19065430 > 0 > 33 > 1 > 1 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 11 10 3 13 15 8 13 23 8 15 24 8 23 25 8 24 27 8 25 27 8 30 32 8 8 30 8 8 33 8 9 32 8 9 33 8 $$$$