7 6 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 1.3315 -2.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9950 -3.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.3265 -3.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9899 -4.6073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.9950 -1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.6584 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 6 1 0 3 4 1 0 4 5 1 0 6 7 3 0 M END > InChI=1S/C6H8O/c1-3-6(2)4-5-7/h1,4,7H,5H2,2H3/b6-4- > ZSJHASYJQIRSLE-XQRVVYSFSA-N > 1/0/N:7,1,6,3,4,2,5/rA:7nCCCCOCC/rB:s1;d2;s3;s4;s2;t6;/rC:0,-2.3037,0;1.3315,-2.3037,0;1.995,-3.4555,0;3.3265,-3.4555,0;3.9899,-4.6073,0;1.995,-1.1518,0;2.6584,0,0; > C6 H8 O > 96.12712 > C/C(/C#C)=C/CO > 4940514 $$$$