104406 -OEChem-10051719553D 28 28 0 0 0 0 0 0 0999 V2000 -0.2768 -2.1703 0.9284 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9199 0.2320 0.4073 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8461 -1.1364 -1.4712 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0012 -0.5497 -0.1967 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 1.3530 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0422 0.1844 0.9689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7951 1.7564 -0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2899 -0.9847 0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0621 0.5600 -1.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1591 -1.2142 0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4195 -0.7069 -0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1503 0.8236 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5839 1.8528 1.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6329 2.2081 0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8201 1.0675 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 -0.1412 1.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5066 0.5213 1.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1942 2.1765 0.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9108 2.5415 -1.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8648 -1.4074 -0.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1503 -1.7793 1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0677 0.8704 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5959 0.1927 -2.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0045 1.3060 -0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9171 0.0462 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5238 2.3266 0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7165 1.3881 1.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8183 2.6272 1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 11 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 M END > DB02419 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ASBDXHCMVYVJQQ-UHFFFAOYSA-N/SDF?record_type=3d > CCOC(=O)C(=O)N1CCCCC1 > InChI=1S/C9H15NO3/c1-2-13-9(12)8(11)10-6-4-3-5-7-10/h2-7H2,1H3 > ASBDXHCMVYVJQQ-UHFFFAOYSA-N > C9H15NO3 > 185.2203 > 185.105193351 > 2 > 28 > 2.9215339412017655e-12 > 19.669672848443106 > 1 > 0 > 0 > 1 > ethyl 2-oxo-2-(piperidin-1-yl)acetate > 1.01 > 0.9630594239999992 > -0.78 > 0 > 0 > 1 > 0 > -4.534235325680873 > 46.61 > 47.71390000000001 > 3 > 1 > 3.10e+01 g/l > biotin > 0 $$$$