67222951 -OEChem-05082415572D 88 86 0 1 0 0 0 0 0999 V2000 10.9371 0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.0298 4.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4608 5.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 2.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3031 3.0956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9529 6.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 9.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0710 0.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.4371 1.7320 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.4371 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.8031 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6686 7.7331 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2208 6.3390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0868 7.8390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5346 8.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8026 7.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1686 8.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1686 6.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4006 7.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9365 7.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6686 9.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6686 6.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2667 8.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0705 7.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1686 10.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1686 5.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1327 7.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2045 7.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6686 11.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6686 4.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4118 4.7512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7208 3.8001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2208 5.3390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7208 3.8001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3086 2.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0868 6.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3548 6.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3548 7.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 8.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9331 8.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1361 8.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4040 6.7581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2011 6.7581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6936 8.9976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6936 8.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6435 6.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6435 7.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0021 7.2581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7992 7.2581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3351 8.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5380 8.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1435 9.0666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1435 9.8637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1936 6.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1936 5.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6652 8.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8681 8.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6720 6.7581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4690 6.7581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6936 10.7297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6936 9.9326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6435 4.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6435 5.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8227 7.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6696 7.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4427 8.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5145 8.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6676 8.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8945 7.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2055 10.8872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9786 11.7341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1317 11.5072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1317 4.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3586 3.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2055 3.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9734 4.3128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1085 3.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6684 5.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3332 3.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7514 2.7193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4795 2.3951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.6454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3852 2.4247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8179 6.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6676 2.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6238 8.1490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8179 8.1490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5341 0.6760 0.0000 H 0 3 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 31 3 1 1 0 0 0 3 82 1 0 0 0 0 32 4 1 1 0 0 0 4 83 1 0 0 0 0 5 35 1 0 0 0 0 5 85 1 0 0 0 0 6 36 2 0 0 0 0 7 39 2 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 33 13 1 6 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 36 1 0 0 0 0 14 39 1 0 0 0 0 14 86 1 0 0 0 0 15 19 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 20 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 22 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 23 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 24 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 25 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 26 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 27 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 28 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 29 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 30 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 76 1 0 0 0 0 32 34 1 0 0 0 0 32 77 1 0 0 0 0 33 78 1 0 0 0 0 34 35 1 6 0 0 0 34 79 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 37 38 2 0 0 0 0 37 84 1 0 0 0 0 38 39 1 0 0 0 0 38 87 1 0 0 0 0 M CHG 5 8 -1 9 -1 10 -1 12 1 88 1 M END > 67222951 > 1 > 523 > 10 > 5 > 14 > AAADcfB7PAIAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQCCAACBThgAYDAAPABhCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyKTAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione;hydron;tetrabutylammonium;phosphate > 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione;hydron;tetrabutylammonium;phosphate > 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydron;tetrabutylazanium;phosphate > 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydron;tetrabutylazanium;phosphate > hydron;1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione;tetrabutylazanium;phosphate > 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone;hydron;tetrabutylammonium;phosphate > InChI=1S/C16H36N.C9H12N2O6.H3O4P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;1-5(2,3)4/h5-16H2,1-4H3;1-2,4,6-8,12,14-15H,3H2,(H,10,13,16);(H3,1,2,3,4)/q+1;;/p-2/t;4-,6-,7-,8-;/m.1./s1 > OWVVLZCBQVKYEL-IOKZUZSRSA-L > 582.31555677 > C25H49N3O10P- > 582.6 > [H+].CCCC[N+](CCCC)(CCCC)CCCC.C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O.[O-]P(=O)([O-])[O-] > [H+].CCCC[N+](CCCC)(CCCC)CCCC.C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O.[O-]P(=O)([O-])[O-] > 206 > 582.31555677 > -1 > 39 > 4 > 0 > 0 > 0 > 0 > 4 > -1 > 1 5 255 > 33 13 6 13 36 8 13 37 8 14 36 8 14 39 8 31 3 5 34 35 6 37 38 8 38 39 8 32 4 5 $$$$