10026 -OEChem-10051719383D 19 18 0 0 0 0 0 0 0999 V2000 1.8668 0.3630 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1376 0.2503 -0.0234 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0162 -0.4759 -0.0083 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 -0.3753 0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5263 0.4408 0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0477 0.5304 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 -0.4544 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3344 -0.2789 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8505 -1.0109 0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8304 -1.0417 -0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4919 1.0990 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4977 1.1040 -0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0535 1.1823 0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0101 1.1788 -0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6905 -1.0957 -0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7088 -1.0896 0.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3743 -0.9167 -0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4188 -0.9171 0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2015 0.3885 -0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 3 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 M END > DB01612 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CSDTZUBPSYWZDX-UHFFFAOYSA-N/SDF?record_type=3d > CCCCCON=O > InChI=1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3 > CSDTZUBPSYWZDX-UHFFFAOYSA-N > C5H11NO2 > 117.1463 > 117.078978601 > 2 > 19 > 1.5328056142525044e-09 > 12.840100937582317 > 1 > 0 > 0 > 0 > pentyl nitrite > 1.98 > 2.3125660403333335 > -1.47 > 0 > 0 > 0 > 0 > -1.8145129168936718 > 38.66 > 31.678600000000003 > 5 > 1 > 3.97e+00 g/l > biotin > 1 $$$$