12 12 0 0000 0 0 0 0 0999 V2000 5.3217 -3.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.9927 -3.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.3283 -2.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9927 -1.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.3217 -1.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.9861 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.3283 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9934 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1.3289 -1.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9934 -2.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.3289 -3.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 10 1 0 4 5 1 0 4 7 1 0 5 6 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 12 1 0 10 11 1 0 M END > InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 > LXNHXLLTXMVWPM-UHFFFAOYSA-N > 1/0/N:12,7,5,2,9,4,3,10,8,6,1,11/rA:12nOCCCCOCNCCOC/rB:s1;s2;d3;s4;s5;s4;d7;s8;s3d9;s10;s9;/rC:5.3217,-3.454,0;3.9927,-3.454,0;3.3283,-2.3047,0;3.9927,-1.1493,0;5.3217,-1.1493,0;5.9861,0,0;3.3283,0,0;1.9934,0,0;1.3289,-1.1493,0;1.9934,-2.3047,0;1.3289,-3.454,0;0,-1.1493,0; > C8 H11 N O3 > 169.1778 > OCC1C(O)=C(C)N=CC=1CO > 1025 $$$$