70356445 -OEChem-03292408402D 57 59 0 1 0 0 0 0 0999 V2000 6.6676 5.9438 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.0298 2.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2086 2.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4608 2.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 0.5960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3118 0.5960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3031 0.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4819 0.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9529 3.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1317 3.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 6.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3996 6.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 3.9438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3996 3.9438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0868 5.4438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2656 5.4438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4118 2.3561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7208 1.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2208 2.9438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7208 1.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8996 1.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5906 2.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8996 1.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3996 2.9438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3086 0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4874 0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0868 4.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3548 4.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2656 4.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5336 4.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3548 5.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5336 5.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 5.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3996 5.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3148 2.9684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1085 1.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6684 3.2253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3332 1.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1811 0.8526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2806 2.8930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0242 2.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5120 1.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9520 3.2253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7514 0.3242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4795 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9301 0.3242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6583 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3852 0.0296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8179 4.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6952 0.6608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9966 4.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6676 0.1989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6238 5.7538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8179 5.7538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8463 0.1989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8026 5.7538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 17 4 1 1 0 0 0 4 48 1 0 0 0 0 18 5 1 1 0 0 0 5 49 1 0 0 0 0 21 6 1 1 0 0 0 6 51 1 0 0 0 0 7 25 1 0 0 0 0 7 53 1 0 0 0 0 8 26 1 0 0 0 0 8 56 1 0 0 0 0 9 27 2 0 0 0 0 10 29 2 0 0 0 0 11 33 2 0 0 0 0 12 34 2 0 0 0 0 19 13 1 6 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 24 14 1 6 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 27 1 0 0 0 0 15 33 1 0 0 0 0 15 54 1 0 0 0 0 16 29 1 0 0 0 0 16 34 1 0 0 0 0 16 57 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 25 1 6 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 26 1 6 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 28 31 2 0 0 0 0 28 50 1 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 31 33 1 0 0 0 0 31 55 1 0 0 0 0 32 34 1 0 0 0 0 M END > 70356445 > 1 > 756 > 11 > 7 > 4 > AAADceB7vAAAAgAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHgAwCAAACBTjgAYBAAPABgCIACFWUACAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidine-2,4-dione > 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-iodopyrimidine-2,4-dione > 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione > 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione > 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-iodanyl-pyrimidine-2,4-dione > 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone;1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-iodo-pyrimidine-2,4-quinone > InChI=1S/C9H11IN2O5.C9H12N2O6/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7;12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h2,5-7,13-14H,1,3H2,(H,11,15,16);1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t5-,6+,7+;4-,6-,7-,8-/m01/s1 > NNFLHADCGSGDAM-VLWUUEJESA-N > 598.04081 > C18H23IN4O11 > 598.3 > C1C(C(OC1N2C=C(C(=O)NC2=O)I)CO)O.C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O > C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)O.C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O > 218 > 598.04081 > 0 > 34 > 7 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 19 13 6 13 27 8 13 28 8 24 14 6 14 29 8 14 30 8 15 27 8 15 33 8 16 29 8 16 34 8 20 25 6 23 26 6 28 31 8 30 32 8 31 33 8 32 34 8 17 4 5 18 5 5 21 6 5 $$$$