13 12 0 0000 0 0 0 0 0999 V2000 4.7690 -1.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.3655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.2690 -0.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7690 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 2 11 1 0 3 11 2 0 4 12 1 0 5 13 1 0 6 12 2 0 7 13 2 0 8 9 1 0 8 10 1 0 8 11 1 0 9 12 1 0 10 13 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)/i3+1,4+1,5+1 > KRKNYBCHXYNGOX-FRSWOAELSA-N > 1/1/N:9,10,12,13,11,8,4,6,5,7,2,3,1/E:(1,2)(3,4)(7,8,9,10)(11,12)/gE:(1,2)/I:/E:m/gE:m/rA:21nOOOOOOOCCCC.i13C.i13C.i13HHHHHHHH/rB:;;;;;;s1;s8;s8;s2d3s8;s4d6s9;s5d7s10;s9;s9;s10;s10;s1;s2;s4;s5;/rC:4.769,-1.0005,0;6.001,-.1345,0;5.135,1.3655,0;2.5369,-2.1345,0;2.269,1.5976,0;4.269,-2.1345,0;2.269,-.1345,0;4.269,-.1345,0;3.403,-.6345,0;3.769,.7315,0;5.135,.3655,0;3.403,-1.6345,0;2.769,.7315,0;3.1909,-.0519,0;2.7924,-.7422,0;4.3516,.9436,0;3.6613,1.3421,0;4.459,-1.5375,0;6.538,.1755,0;2,-1.8245,0;2.579,2.1345,0; > C6 H8 O7 > 195.1015 > O([H])C([13C](=O)O[H])(C([H])([H])[13C](=O)O[H])C([H])([H])[13C](=O)O[H] > 17341114 $$$$