12 12 0 0001 0 0 0 0 0999 V2000 8.2737 -0.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 8.2737 -3.7692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.9605 -0.8935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 3.2946 -3.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.8614 -2.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.8614 -4.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.9605 -3.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7888 -2.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.0331 -6.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.4454 -2.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.4724 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 3.9275 -0.8935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 2 10 2 0 8 3 1 6 3 11 1 0 3 12 1 0 4 5 1 0 4 6 1 0 4 7 1 6 5 6 1 0 6 9 2 0 7 8 1 0 8 10 1 0 M END > InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)/t5-,6+/m1/s1 > OOJZCXFXPZGUBJ-RITPCOANSA-N > 1/1/N:9,5,7,6,4,8,10,3,1,2/E:(9,10)/it:im/rA:21cOONCCCCCCCHHHHHHHHHHH/rB:;;;s4;s4s5;N4;n3s7;d6;s1d2s8;s4;s5;s5;s7;s7;s8;s9;s9;s3;s3;s1;/rC:8.2737,-.8935,0;8.2737,-3.7692,0;4.9605,-.8935,0;3.2946,-3.7692,0;1.8614,-2.9316,0;1.8614,-4.5975,0;4.9605,-3.7692,0;5.7888,-2.3267,0;1.0331,-6.0308,0;7.4454,-2.3267,0;3.5645,-2.7734,0;.8469,-2.7548,0;2.215,-1.9637,0;5.9284,-4.1136,0;4.7744,-4.7744,0;4.7558,-2.3267,0;0,-6.0308,0;1.5449,-6.9242,0;5.4724,0,0;3.9275,-.8935,0;9.3068,-.8935,0; > C7 H11 N O2 > 141.1677 > O([H])C([C@]([H])(C([H])([H])[C@]1([H])C(=C([H])[H])C1([H])[H])N([H])[H])=O > 9943349 $$$$