14 13 0 0000 0 0 0 0 0999 V2000 2.3014 -1.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.4590 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.4590 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6027 -1.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7604 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.9180 -1.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1576 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.1593 -2.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.3170 -1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.4746 -1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.6323 -1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.7899 -1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.9476 -1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 1 7 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 8 2 0 7 12 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 13 1 0 13 14 1 0 M END > InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+ > OPCRGEVPIBLWAY-QNRZBPGKSA-N > 1/0/N:14,12,13,7,11,10,9,8,6,5,4,3,2,1/rA:14nOOCCCCCCCCCCCC/rB:;s1d2;s3;d4;s5;s1;d6;s8;s9;s10;s7;s11;s13;/rC:2.3014,-1.9945,0;3.459,0,0;3.459,-1.325,0;4.6027,-1.9945,0;5.7604,-1.325,0;6.918,-1.9945,0;1.1576,-1.325,0;8.1593,-2.0503,0;9.317,-1.3111,0;10.4746,-1.9806,0;11.6323,-1.3111,0;0,-1.9945,0;12.7899,-1.9806,0;13.9476,-1.3111,0; > C12 H20 O2 > 196.286 > O(CC)C(/C=C/C=C\CCCCC)=O > 4444602 $$$$