11 11 0 0000 0 0 0 0 0999 V2000 2.3038 -5.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1519 -6.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1519 -7.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1519 -3.9913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 -1.1519 -3.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -2.3038 -4.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -2.3038 -5.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -3.4557 -6.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -1.1519 -6.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 4 11 1 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 11 2 0 M END > InChI=1S/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H3 > YNPDFBFVMJNGKZ-UHFFFAOYSA-N > 1/0/N:10,1,8,7,11,9,2,4,5,3,6/rA:11nCCOCCOCCCCC/rB:s1;d2;s2;d4;s5;s5;d7;s8;s9;s4d9;/rC:2.3038,-5.9898,0;1.1519,-6.6522,0;1.1519,-7.9826,0;0,-5.9898,0;0,-4.6536,0;1.1519,-3.9913,0;-1.1519,-3.9913,0;-2.3038,-4.6594,0;-2.3038,-5.9898,0;-3.4557,-6.6522,0;-1.1519,-6.6522,0; > C9 H10 O2 > 150.1745 > CC(C1C=C(C)C=CC=1O)=O > 14340 $$$$