65058 -OEChem-12161919253D 30 32 0 1 0 0 0 0 0999 V2000 -2.0956 0.2628 -0.8879 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4312 -2.3882 -0.0402 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9668 2.3126 -0.5526 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 1.3946 0.3044 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 0.1266 -0.0828 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8105 -1.6165 -0.3524 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5439 1.8358 0.2872 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0842 -0.8530 -0.1308 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -0.5919 -0.2589 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7509 -1.0859 1.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2123 -1.1651 0.6592 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3881 0.0091 -0.2979 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8416 1.2792 0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3924 -0.3664 -0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 1.4731 0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2443 0.6784 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 0.4707 0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1826 -1.7760 -0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9298 -1.4195 -0.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 -0.3545 1.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3196 -2.0402 1.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8882 -1.1475 1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0727 -0.2257 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1087 1.6050 1.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8109 1.1320 0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5713 2.1366 0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9486 -2.3610 -0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1904 -2.4023 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2578 3.1107 -0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4892 -2.8176 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 11 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 17 2 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 14 1 0 0 0 0 6 18 1 0 0 0 0 6 28 1 0 0 0 0 7 15 2 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 2 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 18 30 1 0 0 0 0 M END > DB02380 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VGONTNSXDCQUGY-RRKCRQDMSA-N/SDF?record_type=3d > OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CNC2=O > InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1 > VGONTNSXDCQUGY-RRKCRQDMSA-N > C10H12N4O4 > 252.23 > 252.085854882 > 7 > 30 > -2.0823366917284757e-05 > 23.69386736747174 > 1 > 3 > 0 > 0 > 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-ol > -1.67 > -0.6649651763333334 > -1.40 > 0 > 0 > 3 > 0 > 13.889081575303972 > 11.675326207832725 > 0.6789789255117281 > 113.52 > 58.96539999999999 > 2 > 1 > 1.01e+01 g/l > cysteine hcl > 0 $$$$