Mrv0541 02231217292D 8 7 0 0 1 0 999 V2000 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 0.3020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 3 5 1 6 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 M END > DB04171 > drugbank > CC[C@@](C)(N)C(O)=O > InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1 > GCHPUFAZSONQIV-RXMQYKEDSA-N > C5H11NO2 > 117.1463 > 117.078978601 > 3 > 19 > -0.0016172595099573916 > 12.156267563896755 > 1 > 2 > 0 > 0 > (2R)-2-amino-2-methylbutanoic acid > -2.07 > -1.885673220920779 > 0.31 > 0 > 0 > 0 > 0 > 2.6789753169111603 > 9.77786327642548 > 63.32 > 29.734600000000004 > 2 > 1 > 2.38e+02 g/l > biotin > 0 > DB04171 > EXPT01211 > experimental > D-Isovaline $$$$