3893 -OEChem-01291911493D 38 37 0 0 0 0 0 0 0999 V2000 -7.0213 0.6218 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9285 -1.3708 0.0651 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6986 -0.3981 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4623 0.5029 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9876 0.4275 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8577 -0.2736 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2232 -0.4748 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 0.6286 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5433 0.2988 0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3834 -0.1996 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8157 -0.5481 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6367 0.6695 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0955 0.2632 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9042 -0.1474 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6789 -1.0103 -0.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6747 -1.0856 0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4974 1.1286 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 1.1842 -0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 1.0554 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0228 1.1002 -0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8876 -0.9432 0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8866 -0.9112 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1726 -1.1663 0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2189 -1.0899 -0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 1.2997 -0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0782 1.2574 0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5634 1.0347 -0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5611 0.8734 0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3863 -0.8906 0.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4023 -0.8210 -0.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7964 -1.3046 0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8287 -1.0886 -0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6185 1.2980 0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6699 1.3151 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1657 1.0084 -0.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1327 0.7853 1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9696 -0.3920 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8388 0.0803 0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 38 1 0 0 0 0 2 14 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 M END > DB03017 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/POULHZVOKOAJMA-UHFFFAOYSA-N/SDF?record_type=3d > CCCCCCCCCCCC(O)=O > InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14) > POULHZVOKOAJMA-UHFFFAOYSA-N > C12H24O2 > 200.3178 > 200.177630012 > 2 > 38 > 25.846297240499034 > 1 > 1 > 0 > 1 > dodecanoic acid > 5.13 > 4.478308117666667 > -4.30 > 0 > 0 > -1 > 4.952019655228562 > 37.3 > 58.67959999999999 > 10 > 1 > 9.97e-03 g/l > lauric acid > 1 $$$$