11 11 0 0000 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1552 -0.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.1552 -1.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0120 -2.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0120 -3.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1552 -4.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3105 -3.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3105 -2.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4597 -4.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6149 -3.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.4597 -5.9857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 8 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 9 11 1 0 M END > InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10) > XHQZJYCNDZAGLW-UHFFFAOYSA-N > 1/1/N:1,5,6,4,8,7,3,9,10,11,2/E:(9,10)/rA:11nCOCCCCCCCOO/rB:s1;s2;d3;s4;d5;s6;s3d7;s7;d9;s9;/rC:;1.1552,-.6644,0;1.1552,-1.9932,0;.012,-2.6576,0;.012,-3.9924,0;1.1552,-4.6568,0;2.3105,-3.9924,0;2.3105,-2.6576,0;3.4597,-4.6568,0;4.6149,-3.9924,0;3.4597,-5.9857,0; > C8 H8 O3 > 152.1473 > COC1C=C(C(O)=O)C=CC=1 > 10977 $$$$