10 10 0 0001 0 0 0 0 0999 V2000 3.1481 -2.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.9933 -2.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9933 -3.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 2.6603 -1.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.8113 -1.8142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 3.8113 -0.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.9933 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.6632 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.6632 -2.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 6 2 4 1 0 2 10 1 0 4 5 1 1 4 6 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 M END > InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m0/s1 > PFURGBBHAOXLIO-WDSKDSINSA-N > 1/0/N:8,9,7,10,4,2,6,1/E:(1,2)(3,4)(5,6)(7,8)/it:im/rA:10cOCHCHOCCCC/rB:s1;N2;s2;P4;s4;s4;s7;s8;s2s9;/rC:3.1481,-2.969,0;1.9933,-2.302,0;1.9933,-3.6321,0;2.6603,-1.151,0;3.8113,-1.8142,0;3.8113,-.484,0;1.9933,0,0;.6632,0,0;0,-1.151,0;.6632,-2.302,0; > C6 H12 O2 > 116.1583 > O[C@]1(CCCC[C@@]1(O)[H])[H] > 5413674 $$$$