6253 -OEChem-10051719273D 30 31 0 1 0 0 0 0 0999 V2000 -1.3618 -0.3949 0.9647 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9463 0.2260 -1.9409 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2033 2.0267 0.2173 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9533 -2.6676 0.7122 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6907 2.3204 0.6922 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7732 0.2504 0.2444 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1559 0.6541 0.2143 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6518 -1.0571 -0.2777 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2759 1.0989 -0.8668 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7330 0.8934 -0.5091 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5826 0.6779 0.4197 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7020 -0.3072 0.4383 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0201 -1.6279 -0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0201 -1.0747 -0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8716 1.1372 0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2473 -1.5583 -0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3677 -0.5973 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0161 2.1233 -1.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3933 0.7435 -1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 1.4960 1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3697 -0.1712 1.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 -1.8594 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0262 -1.6113 -0.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4587 0.5118 -2.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7028 2.1030 1.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -1.7331 -0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 -3.4976 0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4437 -2.5884 -0.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8485 -2.0224 -0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4467 -0.4364 -0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 9 1 0 0 0 0 2 24 1 0 0 0 0 3 10 1 0 0 0 0 3 25 1 0 0 0 0 4 13 1 0 0 0 0 4 27 1 0 0 0 0 5 15 2 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 15 1 0 0 0 0 7 17 2 0 0 0 0 8 17 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 M END > DB00987 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UHDGCWIWMRVCDJ-CCXZUQQUSA-N/SDF?record_type=3d > NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O > InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1 > UHDGCWIWMRVCDJ-CCXZUQQUSA-N > C9H13N3O5 > 243.2166 > 243.085520541 > 7 > 30 > 0.0015579170079105308 > 22.532482120749137 > 1 > 4 > 0 > 0 > 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one > -2.18 > -2.7975172843333334 > -0.74 > 0 > 0 > 2 > 0 > 13.933688762603468 > 12.553240843106517 > 4.194053381670019 > 128.61 > 54.5448 > 2 > 1 > 4.38e+01 g/l > tetrahydrofolic acid > 0 $$$$