17 17 0 0000 0 0 0 0 0999 V2000 2.3017 0.0000 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 2.3017 -1.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4561 -1.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6104 -1.3271 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 3.4561 -3.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6104 -3.9883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.7578 -3.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.9121 -3.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7578 -1.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.3017 -3.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1543 -3.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9883 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 1.1543 -1.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3271 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 2.3017 -5.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1543 -5.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.4561 -5.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 13 1 0 3 4 1 0 3 5 1 0 5 6 1 0 5 10 2 0 6 7 1 0 7 8 1 0 7 9 2 0 10 11 1 0 10 15 1 0 11 12 1 0 11 13 2 0 13 14 1 0 15 16 1 0 15 17 2 0 M END > InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/i2D,3D,4D,5D > BSYNRYMUTXBXSQ-QFFDRWTDSA-N > 1/1/N:8,13,2,11,3,7,10,5,15,9,16,17,6/E:(11,12)/I:/E:m/rA:17nH.i2CCH.i2COCCOCCH.i2CH.i2COO/rB:s1;d2;s3;s3;s5;s6;s7;d7;d5;s10;s11;s2d11;s13;s10;s15;d15;/rC:2.3017,0,0;2.3017,-1.3271,0;3.4561,-1.9976,0;4.6104,-1.3271,0;3.4561,-3.3247,0;4.6104,-3.9883,0;5.7578,-3.3247,0;6.9121,-3.9883,0;5.7578,-1.9976,0;2.3017,-3.9883,0;1.1543,-3.3247,0;0,-3.9883,0;1.1543,-1.9976,0;0,-1.3271,0;2.3017,-5.3223,0;1.1543,-5.9859,0;3.4561,-5.9859,0; > C9 H8 O4 > 184.1821 > [2H]C1C([2H])=C([2H])C(C(=O)O)=C(OC(=O)C)C=1[2H] > 23977226 $$$$