4510 -OEChem-07051915443D 20 19 0 0 0 0 0 0 0999 V2000 0.0424 -1.3569 0.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4896 -0.1938 -0.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5272 0.9543 0.2726 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -2.6329 -0.9457 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5454 -2.7561 1.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3033 1.8382 0.1442 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2965 1.5003 -0.9379 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6890 0.1002 0.3197 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 2.2897 1.1422 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9724 -2.3340 0.2369 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5993 0.6429 0.1229 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7640 1.6465 0.1631 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1644 -0.4658 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2787 0.5245 -0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 0.2429 -0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4619 -1.0291 -1.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0315 1.0753 0.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3888 1.2205 -1.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9707 -0.4513 -1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 0.9527 -1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 5 10 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 M CHG 6 4 -1 6 -1 7 -1 10 1 11 1 12 1 M END > DB00727 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SNIOPGDIGTZGOP-UHFFFAOYSA-N/SDF?record_type=3d > [O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O > InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2 > SNIOPGDIGTZGOP-UHFFFAOYSA-N > C3H5N3O9 > 227.0865 > 227.002578773 > 9 > 20 > 15.684488750788198 > 1 > 0 > 0 > 0 > 1,3-bis(nitrooxy)propan-2-yl nitrate > 1.25 > 0.2565299013333335 > -3.05 > 0 > 0 > 0 > -5.611967667251652 > 157.10999999999996 > 37.5855 > 8 > 1 > 2.04e-01 g/l > nitroglycerin > 0 $$$$