6175 -OEChem-11041807043D 30 31 0 1 0 0 0 0 0999 V2000 -1.3683 -0.5375 1.0213 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 2.3579 -1.0898 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4011 1.5647 0.3593 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3406 -3.0610 0.2768 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5749 2.2990 0.7017 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 0.2043 0.2592 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0757 0.6863 0.1552 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 -0.9701 -0.4074 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3632 0.9821 -0.7969 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7950 0.5939 -0.4939 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6513 0.5865 0.4853 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6152 -0.6880 0.3077 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5160 -1.9335 -0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9872 -1.1073 -0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7835 1.1256 0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2224 -1.5489 -0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3166 -0.5540 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 0.4085 -1.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4236 0.4926 -1.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6785 1.3954 1.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3975 -0.8213 1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 -1.8924 -1.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4425 -2.0707 -1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2819 2.5459 -1.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9172 1.5931 1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1691 -1.8039 -0.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2935 -3.8430 -0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4436 -2.5709 -0.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 -1.9257 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3859 -0.3252 -0.3189 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 > DB02097 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UHDGCWIWMRVCDJ-XVFCMESISA-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-XVFCMESISA-N > C9H13N3O5 > 243.2166 > 243.085520541 > 7 > 30 > 22.396851839019853 > 1 > 4 > 0 > 0 > 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one > -2.18 > -2.7975172843333334 > -0.74 > 0 > 2 > 0 > 13.933688762534228 > 12.553240841265385 > -2.5977883895486946 > 128.60999999999999 > 54.544799999999995 > 2 > 1 > 4.38e+01 g/l > cytidine > 0 $$$$