6 5 0 0000 0 0 0 0 0999 V2000 0.0000 -2.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.3295 -2.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9963 -1.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.3295 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.3258 -1.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9925 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 M END > InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+ > ACWQBUSCFPJUPN-HWKANZROSA-N > 1/0/N:1,4,2,5,3,6/rA:6nCCCCCO/rB:s1;d2;s3;s3;d5;/rC:0,-2.3037,0;1.3295,-2.3037,0;1.9963,-1.1498,0;1.3295,0,0;3.3258,-1.1498,0;3.9925,0,0; > C5 H8 O > 84.11642 > C/C=C(/C=O)\C > 4479558 $$$$