8 7 0 0000 0 0 0 0 0999 V2000 4.6048 -2.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.7509 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.7509 -1.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4519 -1.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2990 -2.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.9038 -1.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1529 -1.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 1 4 1 0 2 3 2 0 3 6 1 0 4 5 1 0 5 7 1 0 7 8 1 0 M END > InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 > DKPFZGUDAPQIHT-UHFFFAOYSA-N > 1/0/N:8,6,7,5,4,3,2,1/rA:8nOOCCCCCC/rB:;s1d2;s1;s4;s3;s5;s7;/rC:4.6048,-2.0021,0;5.7509,0,0;5.7509,-1.3324,0;3.4519,-1.3393,0;2.299,-2.009,0;6.9038,-1.9952,0;1.1529,-1.3462,0;0,-2.0159,0; > C6 H12 O2 > 116.1583 > O(CCCC)C(C)=O > 29012 $$$$