8 8 0 0001 0 0 0 0 0999 V2000 4.4046 -0.7884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.4180 -1.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.6911 -2.9775 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 2.1539 -1.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.7398 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.4096 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.0747 -2.0482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 4 2 1 6 4 5 1 0 4 8 1 0 5 6 1 0 6 7 1 0 7 8 1 0 M CHG 1 3 -1 M END > InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1/t4-/m1/s1 > ONIBWKKTOPOVIA-SCSAIBSYSA-M > 1/1/N:6,5,7,4,2,8,1,3/E:(7,8)/it:im/rA:8cOCO-CCCCN/rB:d1;s2;n2;s4;s5;s6;s4s7;/rC:4.4046,-.7884,0;3.418,-1.6782,0;3.6911,-2.9775,0;2.1539,-1.2641,0;1.7398,0,0;.4096,0,0;0,-1.2641,0;1.0747,-2.0482,0; > C5 H8 N O2 > 114.1225 > O=C([C@@H]1NCCC1)[O-] > 4574229 $$$$