2230 -OEChem-10051720333D 24 24 0 1 0 0 0 0 0999 V2000 2.1139 -0.8960 0.3784 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3883 1.1647 -0.6403 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9925 -0.6669 -0.3798 N 0 0 1 0 0 0 0 0 0 0 0 0 -2.5257 0.3879 0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5636 -0.9044 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8084 1.7206 0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2413 0.3621 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3205 1.5713 0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7584 -1.9034 -0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6988 0.2848 -0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5271 -1.1207 0.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4165 0.1091 1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5968 0.5339 0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1643 -1.5449 -0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4455 -1.4401 0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0323 2.4138 1.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1915 2.1728 -0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2743 2.4794 0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -2.6745 -0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 -1.7394 -0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7255 -2.2947 0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8837 -1.1306 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7271 -2.0967 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0468 -0.3526 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 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 8 2 0 0 0 0 7 10 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 M END > DB04365 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HJJPJSXJAXAIPN-UHFFFAOYSA-N/SDF?record_type=3d > COC(=O)C1=CCCN(C)C1 > InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3 > HJJPJSXJAXAIPN-UHFFFAOYSA-N > C8H13NO2 > 155.1943 > 155.094628665 > 2 > 24 > 0.9438656389363339 > 17.102589891339612 > 1 > 0 > 0 > 0 > methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate > 0.55 > 0.6488026606666668 > 0.46 > 0 > 1 > 1 > 1 > 8.225681392301013 > 29.54 > 43.861000000000004 > 2 > 1 > 4.46e+02 g/l > biotin > 1 $$$$