5284553 -OEChem-10051719383D 26 25 0 1 0 0 0 0 0999 V2000 0.4352 1.6734 -0.6757 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3906 -1.6612 0.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5164 -0.1314 -0.3727 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 0.1435 0.3979 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6157 2.9122 1.1434 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6016 -2.8879 -1.2036 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6939 3.9268 -0.8406 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -3.9252 0.7694 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1033 -0.3373 1.1539 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.1975 0.2784 -1.0603 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5950 -0.8401 -0.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6008 0.8405 1.0594 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5962 2.9553 -0.0873 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5237 -2.9428 0.0244 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8578 -0.4690 -0.0457 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9002 0.4510 0.1223 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3318 0.6203 0.2842 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3766 -0.5951 -0.3315 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7467 0.2850 0.7512 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8152 -0.2963 -0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 0.9072 1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -0.8501 -1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2275 1.1574 1.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7024 -0.5179 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8081 0.4919 -1.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3003 -1.1878 -1.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 3 15 1 0 0 0 0 3 19 1 0 0 0 0 4 16 1 0 0 0 0 4 20 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 7 13 2 0 0 0 0 8 14 2 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 M CHG 8 5 -1 6 -1 9 -1 10 -1 13 1 14 1 15 1 16 1 M END > DB01613 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SNFOERUNNSHUGP-ZXZARUISSA-N/SDF?record_type=3d > [O-][N+](=O)OC[C@@H](O[N+]([O-])=O)[C@H](CO[N+]([O-])=O)O[N+]([O-])=O > InChI=1S/C4H6N4O12/c9-5(10)17-1-3(19-7(13)14)4(20-8(15)16)2-18-6(11)12/h3-4H,1-2H2/t3-,4+ > SNFOERUNNSHUGP-ZXZARUISSA-N > C4H6N4O12 > 302.11 > 301.998221676 > 12 > 26 > 0.0 > 20.547034950743022 > 0 > 0 > 0 > 1 > (2R,3S)-1,3,4-tris(nitrooxy)butan-2-yl nitrate > 1.68 > 0.324709600666666 > -3.19 > 0 > 0 > 0 > 0 > -5.492337082867939 > 209.48 > 49.237800000000014 > 11 > 0 > 1.95e-01 g/l > biotin > 0 $$$$