7752 -OEChem-10051720033D 16 15 0 0 0 0 0 0 0999 V2000 0.6890 0.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -1.4234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 0.7149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8535 -0.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 0.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5113 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9386 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8491 -1.0166 0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8491 -1.0165 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9978 -0.1125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0966 1.1457 -0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0966 1.1456 0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3012 1.7018 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0689 -0.7321 0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4016 0.7805 -0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4025 0.7841 0.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 2 6 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M END > DB02856 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SURZCVYFPAXNGN-UHFFFAOYSA-N/SDF?record_type=3d > CCOC(=O)NC > InChI=1S/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6) > SURZCVYFPAXNGN-UHFFFAOYSA-N > C4H9NO2 > 103.1198 > 103.063328537 > 1 > 16 > -6.068989705728636e-09 > 10.770382181235435 > 1 > 1 > 0 > 0 > ethyl N-methylcarbamate > 0.40 > 0.16948682833333342 > 0.49 > 0 > 0 > 0 > 0 > 15.216883596527131 > 38.33 > 25.734800000000003 > 2 > 1 > 3.21e+02 g/l > biotin > 1 $$$$