8 8 0 0000 0 0 0 0 0999 V2000 2.0000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 2 3 2 0 2 4 1 0 2 8 1 0 3 5 1 0 4 6 2 0 5 7 2 0 6 7 1 0 M END > 2 3 8 2 4 8 3 5 8 4 6 8 5 7 8 6 7 8 > InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H/i7+1 > HUMNYLRZRPPJDN-CDYZYAPPSA-N > 1/0/N:7,5,6,3,4,8,2,1/E:(2,3)(4,5)/I:/E:m/rA:14nOC.i13CCCCCCHHHHHH/rB:;d2;s2;s3;d4;d5s6;d1s2;s3;s4;s5;s6;s7;s8;/rC:2,1.75,0;2.866,.25,0;3.7321,-.25,0;2,-.25,0;3.7321,-1.25,0;2,-1.25,0;2.866,-1.75,0;2.866,1.25,0;4.269,.06,0;1.4631,.06,0;4.269,-1.56,0;1.4631,-1.56,0;2.866,-2.37,0;3.403,1.56,0; > C7 H6 O > 107.1146 > O=C([H])[13C]1C([H])=C([H])C([H])=C([H])C=1[H] > 9183025 $$$$