127293 -OEChem-10051721143D 36 36 0 1 0 0 0 0 0999 V2000 4.8915 1.3287 0.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0741 -0.0455 2.0546 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3065 -2.1227 -1.1878 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1351 0.1422 -1.1214 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8602 -0.4053 0.2787 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1809 -0.1516 -0.2100 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2412 0.9866 -1.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6335 1.5227 -0.9846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 0.2721 -0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0591 0.3569 0.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1782 0.1225 0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7551 -0.6418 0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -1.4346 0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0263 -1.3760 -0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1817 1.0682 -0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3775 -0.5679 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5600 0.9455 0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6271 -1.0633 -0.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0571 0.6767 -2.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5035 1.7596 -0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7066 2.5863 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3865 0.9713 -1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4523 1.3142 -0.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8387 0.0481 -1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5158 0.1747 1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1242 0.3343 1.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5197 -0.9139 0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0919 -1.6828 0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6493 -0.3740 1.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6428 -2.4754 0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -1.1421 1.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2534 0.8466 -1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8356 2.1040 -0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5282 1.1941 1.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9496 -0.0722 0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2617 1.6296 -0.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 14 2 0 0 0 0 4 16 2 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 11 15 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 M END > DB08081 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FXCMGCFNLNFLSH-JTQLQIEISA-N/SDF?record_type=3d > [H][C@@]1(CCOC1=O)NC(=O)CC(=O)CCCCC > InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1 > FXCMGCFNLNFLSH-JTQLQIEISA-N > C12H19NO4 > 241.2836 > 241.131408101 > 3 > 36 > -0.0004250287953274899 > 25.362672035159424 > 1 > 1 > 0 > 1 > 3-oxo-N-[(3S)-2-oxooxolan-3-yl]octanamide > 0.96 > 1.1737519959999998 > -1.75 > 0 > 0 > 1 > 0 > 18.35365296039683 > 10.371397011002738 > -3.910333054207714 > 72.47 > 61.1831 > 7 > 1 > 4.28e+00 g/l > tetrahydrofolic acid > 0 $$$$