444499 -OEChem-10051720513D 33 35 0 1 0 0 0 0 0999 V2000 -2.1393 -2.5255 -0.1387 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1903 -1.3244 1.0845 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1382 2.2803 -1.4386 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7987 0.8681 1.0428 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 0.7426 -0.6473 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8646 0.9103 1.5806 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0203 -0.7876 -1.4552 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3268 -0.2731 -0.9081 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9727 -0.4391 -0.3660 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8093 -1.3307 0.5682 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1974 0.3450 -0.4044 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0623 -0.5045 0.8519 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3409 0.0066 0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0924 1.5605 -0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6224 -0.1834 -0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5172 0.6903 1.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5533 0.3761 0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9796 0.3667 0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3865 -0.7781 -1.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7888 -0.9521 -1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3102 -1.6202 1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5647 -0.2470 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9017 0.1332 1.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5728 1.5007 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7369 2.2287 0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1127 1.2539 0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1899 1.0424 2.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3082 -3.0022 -0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9803 -1.9021 1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2769 1.3907 2.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3956 -1.2223 -2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2288 2.5486 -1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6643 -1.2831 -2.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 28 1 0 0 0 0 2 12 1 0 0 0 0 2 29 1 0 0 0 0 3 14 1 0 0 0 0 3 32 1 0 0 0 0 4 18 2 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 24 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 30 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 7 31 1 0 0 0 0 8 18 1 0 0 0 0 8 19 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 19 33 1 0 0 0 0 M END > DB06185 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IWKXDMQDITUYRK-KUBHLMPHSA-N/SDF?record_type=3d > OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)C1=CNC2=C1N=CNC2=O > InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1 > IWKXDMQDITUYRK-KUBHLMPHSA-N > C11H14N4O4 > 266.2533 > 266.101504956 > 6 > 33 > 0.8956852526664453 > 25.812536863811832 > 1 > 6 > 0 > 0 > 7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one > -1.75 > -2.7197868400000003 > -1.81 > 0 > 1 > 3 > 1 > 13.123024432001351 > 10.028151594354833 > 7.937984800943429 > 129.97 > 66.37239999999998 > 2 > 0 > 4.11e+00 g/l > tetrahydrofolic acid > 0 $$$$