4678 -OEChem-05112113453D 33 32 0 1 0 0 0 0 0999 V2000 -1.1368 -1.8058 1.0716 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0927 1.1311 0.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1796 0.4635 1.7246 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1414 -0.9310 -0.2099 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0936 0.4861 -0.4079 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1806 -0.2318 -0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8579 -0.8940 0.0123 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8840 0.5266 0.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1265 -1.3426 -0.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9162 0.7328 -1.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1749 0.0930 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 1.3948 -0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 0.6724 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9795 -0.2950 -0.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4084 -1.4807 -0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2525 1.3180 1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1554 -0.1490 1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6456 -1.9307 -1.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0492 -0.9252 -1.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4131 -2.0313 -0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8469 1.0752 -2.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3267 0.2428 -2.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3674 1.6220 -1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0126 0.1239 -1.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8654 2.1038 0.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3737 1.9610 -1.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4254 -1.3009 1.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2206 1.4076 0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2482 0.1244 1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8555 1.9092 -0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2514 -1.0708 -0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 0.2351 -1.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8772 -1.4268 0.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 27 1 0 0 0 0 2 8 1 0 0 0 0 2 30 1 0 0 0 0 3 11 2 0 0 0 0 4 14 1 0 0 0 0 4 33 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 M END > DB11204 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SNPLKNRPJHDVJA-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(CO)C(O)C(=O)NCCCO > InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14) > SNPLKNRPJHDVJA-UHFFFAOYSA-N > C9H19NO4 > 205.254 > 205.131408096 > 4 > 33 > -2.07210606676199e-06 > 22.1458706562446 > 1 > 4 > 0 > 0 > 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide > -1.00 > -1.7005134243333335 > -0.23 > 0 > 0 > 0 > 0 > 15.016110435805928 > 12.685869948391622 > -2.390706370314997 > 89.79 > 51.8848 > 6 > 1 > 1.21e+02 g/l > exametazime > 0 $$$$