9 8 0 0001 0 0 0 0 0999 V2000 3.7321 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 2.8660 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6 1 1 6 2 8 1 0 3 8 2 0 4 9 1 0 5 9 2 0 6 7 1 0 6 9 1 0 7 8 1 0 M CHG 1 4 -1 M END > 6 1 6 > InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1 > BJEPYKJPYRNKOW-REOHCLBHSA-M > 1/1/N:7,6,8,9,1,2,3,4,5/E:(6,7)(8,9)/it:im/rA:14cOOOO-OCCCCHHHHH/rB:;;;;n1;s6;s2d3s7;s4d5s6;s6;s7;s7;s1;s2;/rC:3.7321,-1.095,0;6.3301,.405,0;5.4641,-1.095,0;2,-.095,0;2.866,1.405,0;3.7321,-.095,0;4.5981,.405,0;5.4641,-.095,0;2.866,.405,0;4.269,-.405,0;4.9966,.8799,0;4.1995,.8799,0;3.1951,-1.405,0;6.8671,.095,0; > C4 H5 O5 > 133.0795 > O([H])[C@]([H])(C(=O)[O-])C([H])([H])C(=O)O[H] > 4450895 $$$$