6971251 -OEChem-10051720353D 16 15 0 1 0 0 0 0 0999 V2000 -1.1804 -0.3883 -1.2687 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5855 -0.8396 0.9303 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0185 2.0526 0.0817 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2170 0.5998 0.3831 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5805 0.1656 -0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9202 -1.3016 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9705 -0.2885 -0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2816 0.5677 1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6188 0.3559 -1.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3678 0.7815 0.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 2.4059 0.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0486 2.2202 -0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7943 2.6246 0.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8862 -1.5417 1.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 -1.5182 -0.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -1.9629 -0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 M CHG 2 1 -1 3 1 M END > DB04454 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QWCKQJZIFLGMSD-GSVOUGTGSA-N/SDF?record_type=3d > CC[C@@H](N)C(O)=O > InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 > QWCKQJZIFLGMSD-GSVOUGTGSA-N > C4H9NO2 > 103.1198 > 103.063328537 > 3 > 16 > -0.002869875120549925 > 10.38387358105714 > 1 > 2 > 0 > 0 > (2R)-2-aminobutanoic acid > -2.55 > -2.3181498124844198 > 0.54 > 0 > 0 > 0 > 0 > 2.615755119614637 > 9.53467345401491 > 63.32 > 25.021300000000004 > 2 > 1 > 3.58e+02 g/l > biotin > 0 $$$$