72200832 -OEChem-05072422382D 58 61 0 1 0 0 0 0 0999 V2000 10.1980 2.4007 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.4752 2.2226 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.9405 0.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8069 3.6633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4211 2.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 1.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.7204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 1.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 2.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6063 3.3135 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7897 1.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 1.4126 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.8888 3.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0400 1.1919 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6783 -0.7997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.4092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8337 2.1704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7006 2.6689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4426 1.9985 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0343 1.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 1.7688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4026 0.9608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9209 2.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9422 1.4582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 0.1508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 2.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3512 1.7811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1812 3.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9741 0.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4333 1.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6041 2.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9044 0.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6236 0.8931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.1757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.2884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2685 3.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4757 3.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.4760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3737 3.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8352 1.7433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 3.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 22 4 1 1 0 0 0 4 51 1 0 0 0 0 23 5 1 1 0 0 0 5 52 1 0 0 0 0 6 27 1 0 0 0 0 25 7 1 6 0 0 0 7 53 1 0 0 0 0 26 8 1 6 0 0 0 8 54 1 0 0 0 0 9 30 1 0 0 0 0 15 21 1 0 0 0 0 15 24 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 29 16 1 1 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 32 2 0 0 0 0 17 33 1 0 0 0 0 18 31 2 0 0 0 0 18 35 1 0 0 0 0 19 34 1 0 0 0 0 19 35 2 0 0 0 0 20 34 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 6 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 43 1 0 0 0 0 26 29 1 0 0 0 0 26 44 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 30 1 1 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 33 1 0 0 0 0 32 55 1 0 0 0 0 33 34 2 0 0 0 0 35 56 1 0 0 0 0 M CHG 3 11 -1 13 -1 15 1 M END > 72200832 > 1 > 830 > 16 > 6 > 9 > AAADceBzvAMAAAAAAAAAAAAAAAAAAWLEgAAsAAAAAAAAAFgB+AAAHgAQCCAACDzhlwYF8L/MFxCgQQZhZICAgC0REKABUKAoVBCDWAJAyEAeRAgPEALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,3R,4S)-3,4-dihydroxypyrrolidin-1-ium-2-yl]methyl phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] [(2R,3R,4S)-3,4-dihydroxy-2-pyrrolidin-1-iumyl]methyl phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3R,4S)-3,4-dihydroxypyrrolidin-1-ium-2-yl]methyl phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3R,4S)-3,4-dihydroxypyrrolidin-1-ium-2-yl]methyl phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3R,4S)-3,4-bis(oxidanyl)pyrrolidin-1-ium-2-yl]methyl phosphate > [[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,3R,4S)-3,4-dihydroxypyrrolidin-1-ium-2-yl]methyl phosphate > InChI=1S/C15H24N6O12P2/c16-13-9-14(19-4-18-13)21(5-20-9)15-12(25)11(24)8(32-15)3-31-35(28,29)33-34(26,27)30-2-6-10(23)7(22)1-17-6/h4-8,10-12,15,17,22-25H,1-3H2,(H,26,27)(H,28,29)(H2,16,18,19)/p-1/t6-,7+,8-,10-,11-,12-,15-/m1/s1 > NDQDTBCXPOIQGT-UHNJQBFTSA-M > -6.1 > 541.08491919 > C15H23N6O12P2- > 541.32 > C1C(C(C([NH2+]1)COP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)O)O > C1[C@@H]([C@@H]([C@H]([NH2+]1)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O)O > 284 > 541.08491919 > -1 > 35 > 7 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 29 16 5 16 31 8 16 32 8 17 32 8 17 33 8 18 31 8 18 35 8 19 34 8 19 35 8 21 27 6 28 30 5 31 33 8 33 34 8 22 4 5 23 5 5 25 7 6 26 8 6 $$$$