5289037 -OEChem-10051720083D 27 26 0 1 0 0 0 0 0999 V2000 -3.4269 1.3962 0.6144 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7987 0.3396 -0.6895 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0273 -1.1363 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9896 0.0462 0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4433 -0.7277 0.2160 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4399 -0.3854 -0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4477 0.7516 0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3665 -1.9212 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8824 0.3455 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7514 1.2915 -0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2762 -1.9175 0.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1728 -1.5720 -0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7456 0.8466 -0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8859 0.4624 1.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5934 -0.3653 1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6931 -1.1999 0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5354 -0.7899 -1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1752 1.5862 -0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3908 1.1261 1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 -1.6423 0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1272 -2.7351 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2796 -2.3054 -1.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3678 0.3560 -1.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2041 -0.4651 0.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 1.1946 0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9834 0.0048 -1.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 1.9963 -1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 6 7 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 8 22 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 M END > DB03061 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GFVRKPKAQHTAQK-QMMMGPOBSA-N/SDF?record_type=3d > CCCCC[C@H](C)NC=O > InChI=1S/C8H17NO/c1-3-4-5-6-8(2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)/t8-/m0/s1 > GFVRKPKAQHTAQK-QMMMGPOBSA-N > C8H17NO > 143.2267 > 143.131014171 > 1 > 27 > 9.976375108545545e-09 > 17.54399581388219 > 1 > 1 > 0 > 0 > N-[(2S)-heptan-2-yl]formamide > 1.98 > 1.7743003989999997 > -1.76 > 0 > 0 > 0 > 0 > 16.768481582814335 > -0.9936711407267405 > 29.1 > 42.366499999999995 > 5 > 1 > 2.49e+00 g/l > biotin > 1 $$$$