57399587 -OEChem-05092420452D 74 77 0 1 0 0 0 0 0999 V2000 6.8909 -0.6913 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.6378 -2.8047 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.4732 -1.3958 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.0555 -2.1002 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.0298 1.7733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8838 -4.1478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 0.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3079 -1.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 2.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4360 -2.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 0.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6324 -2.7002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 3.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7973 -5.7411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6433 -2.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 -0.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7424 -3.7992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -1.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5333 -1.8102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 6.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2614 -5.7411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 -1.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -2.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3687 -0.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2465 -2.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 3.3611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6634 -4.2411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 4.8611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5294 -5.7411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 0.8222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7147 -2.5387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 1.7733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6928 -2.7466 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7208 0.8222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2147 -3.4047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2208 2.3611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7973 -3.7411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 0.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2201 -3.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 3.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 3.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6634 -5.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5294 -3.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 4.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3954 -4.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 5.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3954 -5.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8645 -1.5124 0.0000 B 0 5 0 0 0 1 0 0 0 0 0 0 3.1085 0.9192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0955 -2.5062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 1.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5323 -2.1477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 0.9192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9925 -3.9835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 2.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7649 -4.3602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -0.2586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -0.5828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6629 -3.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3910 -4.1052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -0.5532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6724 -1.1235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3071 -1.4710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 3.5511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5294 -3.1211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 5.1711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 5.1711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5294 -6.3611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9324 -3.9311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 0.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2408 -4.1637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 -2.7547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 1 19 2 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 2 18 1 0 0 0 0 2 20 2 0 0 0 0 3 15 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 2 0 0 0 0 4 16 1 0 0 0 0 4 23 1 0 0 0 0 4 26 2 0 0 0 0 4 49 1 0 0 0 0 5 35 1 0 0 0 0 5 37 1 0 0 0 0 6 36 1 0 0 0 0 6 38 1 0 0 0 0 31 7 1 1 0 0 0 7 62 1 0 0 0 0 32 8 1 1 0 0 0 8 63 1 0 0 0 0 33 9 1 1 0 0 0 9 64 1 0 0 0 0 34 10 1 1 0 0 0 10 65 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 2 0 0 0 0 14 43 2 0 0 0 0 17 72 1 0 0 0 0 18 73 1 0 0 0 0 21 47 2 0 0 0 0 22 48 2 0 0 0 0 24 74 1 0 0 0 0 37 27 1 6 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 38 28 1 6 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 41 1 0 0 0 0 29 47 1 0 0 0 0 29 68 1 0 0 0 0 30 43 1 0 0 0 0 30 48 1 0 0 0 0 30 70 1 0 0 0 0 31 33 1 0 0 0 0 31 35 1 0 0 0 0 31 50 1 0 0 0 0 32 34 1 0 0 0 0 32 36 1 0 0 0 0 32 51 1 0 0 0 0 33 37 1 0 0 0 0 33 52 1 0 0 0 0 34 38 1 0 0 0 0 34 53 1 0 0 0 0 35 39 1 6 0 0 0 35 54 1 0 0 0 0 36 40 1 6 0 0 0 36 55 1 0 0 0 0 37 56 1 0 0 0 0 38 57 1 0 0 0 0 39 58 1 0 0 0 0 39 59 1 0 0 0 0 40 60 1 0 0 0 0 40 61 1 0 0 0 0 42 45 2 0 0 0 0 42 66 1 0 0 0 0 44 46 2 0 0 0 0 44 67 1 0 0 0 0 45 47 1 0 0 0 0 45 69 1 0 0 0 0 46 48 1 0 0 0 0 46 71 1 0 0 0 0 M CHG 1 49 -1 M END > 57399587 > 1 > 1610 > 23 > 9 > 14 > AAADceJ7vgOAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAABHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > InChI=1S/C18H25BN4O22P4/c19-46(32,43-47(33,34)39-5-7-11(26)13(28)15(41-7)22-3-1-9(24)20-17(22)30)44-49(37,38)45-48(35,36)40-6-8-12(27)14(29)16(42-8)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,37,38)(H,20,24,30)(H,21,25,31)/q-1/t7-,8-,11-,12-,13-,14-,15-,16-,46?/m1/s1 > IMQAAFKTNXJLAY-VMOKYWTHSA-N > 784.0003966 > C18H25BN4O22P4- > 784.1 > [B-]P(=O)(OP(=O)(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)(OP(=O)(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 > 373 > 784.0003966 > -1 > 49 > 8 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 34 10 5 37 27 6 27 41 8 27 42 8 38 28 6 28 43 8 28 44 8 29 41 8 29 47 8 30 43 8 30 48 8 35 39 6 36 40 6 4 49 3 42 45 8 44 46 8 45 47 8 46 48 8 31 7 5 32 8 5 33 9 5 $$$$