8582 -OEChem-10051720373D 36 38 0 1 0 0 0 0 0999 V2000 4.4788 1.6384 0.0586 P 0 0 0 0 0 0 0 0 0 0 0 0 1.0282 -0.7540 1.0574 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7177 -2.9072 -1.2308 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2863 -3.7233 0.4134 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5143 0.4713 0.6323 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6327 2.2672 -1.1678 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6495 0.8069 -0.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5991 2.7005 -0.3864 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9555 2.6268 1.0824 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0762 -0.0833 0.1904 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7311 2.0129 -0.2815 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2921 -1.0559 0.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1054 0.4963 0.1316 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2412 -1.9503 -0.8289 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1851 -1.2155 0.4329 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5516 -2.5719 -0.3878 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1462 -1.4822 0.4988 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0208 -0.5024 -0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4293 -0.0651 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6968 1.2056 -0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8197 1.2128 -0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2301 1.5609 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6226 -0.6885 0.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4095 -1.2533 -1.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6955 -1.8740 1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1873 -2.8832 -1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7061 -1.8942 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4419 0.0056 -1.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8591 -1.0304 -0.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8239 -3.5487 -0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1431 -4.0687 0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 1.4974 -0.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0175 -2.0096 0.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3029 -1.5297 0.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 3.0511 -1.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4216 1.2931 -1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 9 2 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 3 14 1 0 0 0 0 3 30 1 0 0 0 0 4 16 1 0 0 0 0 4 31 1 0 0 0 0 5 18 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 8 22 2 0 0 0 0 10 15 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 20 2 0 0 0 0 11 21 1 0 0 0 0 12 19 1 0 0 0 0 12 23 1 0 0 0 0 12 33 1 0 0 0 0 13 22 1 0 0 0 0 13 23 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 21 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 23 34 1 0 0 0 0 M END > DB04566 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GRSZFWQUAKGDAV-KQYNXXCUSA-N/SDF?record_type=3d > O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O > InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 > GRSZFWQUAKGDAV-KQYNXXCUSA-N > C10H13N4O8P > 348.206 > 348.047099924 > 9 > 36 > -1.9298476489572547 > 29.135959208343497 > 1 > 5 > 0 > 0 > {[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-6,9-dihydro-1H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid > -2.04 > -2.9301069498914787 > -2.06 > 0 > -2 > 3 > -2 > 6.249624704050114 > 1.3141661584846134 > 0.4945966303048357 > 175.73 > 72.20469999999999 > 4 > 1 > 3.05e+00 g/l > biotin > 0 $$$$