70696216 -OEChem-05062401592D 69 72 0 1 0 0 0 0 0999 V2000 6.8909 0.7045 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.0555 -0.7045 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.4732 0.0000 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.0298 3.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9166 -3.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 1.4090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 3.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8134 -1.4090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4857 -3.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 1.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6433 -1.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -0.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 4.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 0.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9936 -4.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2465 -1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 7.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7256 -7.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -0.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3687 0.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 4.7568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7256 -4.7568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 6.2568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8596 -6.2568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 2.2180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 3.1690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2256 -2.2180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5346 -3.1690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7208 2.2180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2256 -2.2180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2208 3.7568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7256 -3.7568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 1.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6378 -1.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 5.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 5.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8596 -5.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5916 -5.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 6.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5916 -6.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 6.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7256 -6.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8645 -0.1167 0.0000 B 0 0 0 0 0 1 0 0 0 0 0 0 4.0023 1.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 2.7306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9441 -1.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9730 -2.7306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 2.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6133 -2.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 4.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2780 -4.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 1.1372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1951 -1.1372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4669 -0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 0.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4300 -1.4738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9464 -3.0632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 4.9468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1286 -4.9468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 6.5668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 6.5668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3227 -6.5668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1286 -6.5668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 1.9089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 -1.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 1 17 2 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 2 18 2 0 0 0 0 2 45 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 3 21 1 0 0 0 0 3 22 2 0 0 0 0 4 31 1 0 0 0 0 4 33 1 0 0 0 0 5 32 1 0 0 0 0 5 34 1 0 0 0 0 27 6 1 1 0 0 0 6 58 1 0 0 0 0 28 7 1 1 0 0 0 7 59 1 0 0 0 0 29 8 1 1 0 0 0 8 60 1 0 0 0 0 30 9 1 1 0 0 0 9 61 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 13 37 2 0 0 0 0 15 39 2 0 0 0 0 16 68 1 0 0 0 0 19 43 2 0 0 0 0 20 44 2 0 0 0 0 21 69 1 0 0 0 0 33 23 1 6 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 34 24 1 6 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 37 1 0 0 0 0 25 43 1 0 0 0 0 25 64 1 0 0 0 0 26 39 1 0 0 0 0 26 44 1 0 0 0 0 26 66 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 27 46 1 0 0 0 0 28 33 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 29 48 1 0 0 0 0 30 34 1 0 0 0 0 30 49 1 0 0 0 0 31 35 1 6 0 0 0 31 50 1 0 0 0 0 32 36 1 6 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 34 53 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 36 56 1 0 0 0 0 36 57 1 0 0 0 0 38 41 2 0 0 0 0 38 62 1 0 0 0 0 40 42 2 0 0 0 0 40 63 1 0 0 0 0 41 43 1 0 0 0 0 41 65 1 0 0 0 0 42 44 1 0 0 0 0 42 67 1 0 0 0 0 M END > 70696216 > 1 > 1430 > 19 > 8 > 12 > AAADceJ7vgMAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAABHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > InChI=1S/C18H24BN4O19P3/c19-43(32,37-5-7-11(26)13(28)15(39-7)22-3-1-9(24)20-17(22)30)41-45(35,36)42-44(33,34)38-6-8-12(27)14(29)16(40-8)23-4-2-10(25)21-18(23)31/h1-4,7-8,11-16,26-29H,5-6H2,(H,33,34)(H,35,36)(H,20,24,30)(H,21,25,31)/t7-,8-,11-,12-,13-,14-,15-,16-,43?/m1/s1 > BBEQDZMXGMLZIB-YBIYRXCYSA-N > 704.0340657 > C18H24BN4O19P3 > 704.1 > [B]P(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O > [B]P(=O)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O > 327 > 704.0340657 > 0 > 45 > 8 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 2 45 3 33 23 6 23 37 8 23 38 8 34 24 6 24 39 8 24 40 8 25 37 8 25 43 8 26 39 8 26 44 8 31 35 6 32 36 6 38 41 8 40 42 8 41 43 8 42 44 8 27 6 5 28 7 5 29 8 5 30 9 5 $$$$