13 12 0 0000 0 0 0 0 0999 V2000 0.0000 -4.6071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.3303 -4.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9926 -5.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.9926 -3.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.1444 -4.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2962 -3.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.4479 -4.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.2962 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.6606 -2.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9926 -1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.6606 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.6623 -1.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.8408 -2.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 4 9 1 0 4 13 1 0 5 6 1 0 6 7 2 0 6 8 1 0 9 10 1 0 10 11 2 0 10 12 1 0 M END > InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) > KRKNYBCHXYNGOX-UHFFFAOYSA-N > 1/1/N:5,9,6,10,2,4,7,8,11,12,1,3,13/E:(1,2)(3,4)(7,8,9,10)(11,12)/gE:(1,2)/rA:13nOCOCCCOOCCOOO/rB:s1;d2;s2;s4;s5;d6;s6;s4;s9;d10;s10;s4;/rC:0,-4.6071,0;1.3303,-4.6071,0;1.9926,-5.7589,0;1.9926,-3.4554,0;3.1444,-4.1176,0;4.2962,-3.4554,0;5.4479,-4.1176,0;4.2962,-2.125,0;2.6606,-2.3036,0;1.9926,-1.1518,0;2.6606,0,0;.6623,-1.1518,0;.8408,-2.7873,0; > C6 H8 O7 > 192.1235 > OC(C(O)(CC(O)=O)CC(O)=O)=O > 305 $$$$