6802 -OEChem-10051720033D 33 35 0 1 0 0 0 0 0999 V2000 2.2215 -0.4119 -0.9816 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2263 2.1696 1.3131 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3891 2.3273 -0.3247 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2016 -2.3516 -0.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2025 -1.9425 0.4322 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0105 -0.3974 -0.1205 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7889 1.2170 -0.3892 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2656 -2.1864 0.3405 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9898 0.3084 -0.0776 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6432 2.5808 -0.5986 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2104 0.4021 -0.3569 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8408 0.9633 0.9086 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2808 1.1477 0.4720 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5091 -0.0698 -0.4183 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0332 -1.2759 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2814 0.0060 -0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0307 -1.7414 0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0494 -1.0861 0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4937 -0.9751 0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1781 1.3159 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9325 1.1893 -1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7819 0.2452 1.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9796 1.2425 1.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1714 0.1506 -1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3371 -1.6033 1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0011 -1.0592 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3268 2.8148 0.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8641 -2.3419 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3117 2.3900 -0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2211 2.0325 -0.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 -2.5319 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 3.3466 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6365 2.7855 -0.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 12 1 0 0 0 0 2 27 1 0 0 0 0 3 13 1 0 0 0 0 3 29 1 0 0 0 0 4 15 1 0 0 0 0 4 31 1 0 0 0 0 5 19 2 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 7 30 1 0 0 0 0 8 17 2 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 2 0 0 0 0 10 20 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 18 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 M END > DB02857 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NYHBQMYGNKIUIF-UUOKFMHZSA-N/SDF?record_type=3d > NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1 > InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1 > NYHBQMYGNKIUIF-UUOKFMHZSA-N > C10H13N5O5 > 283.2407 > 283.091668551 > 8 > 33 > -0.0007016122704580129 > 26.0315249439995 > 1 > 5 > 0 > 0 > 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one > -2.06 > -2.706218196 > -1.27 > 0 > 0 > 3 > 0 > 12.456833616816143 > 10.15572249859448 > 0.4462064218132451 > 155.22000000000003 > 64.62109999999998 > 2 > 1 > 1.53e+01 g/l > tetrahydrofolic acid > 0 $$$$