12 13 0 0000 0 0 0 0 0999 V2000 3.5017 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.0928 -1.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9816 -2.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.5668 -3.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.3489 -4.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.5668 -5.6702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.3048 -5.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3048 -3.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1494 -3.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1494 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 8 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 12 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 M END > InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2 > MBBOMCVGYCRMEA-UHFFFAOYSA-N > 1/0/N:10,11,9,12,3,2,5,4,8,7,6,1/rA:12nOCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s8;d9;s10;s7d11;/rC:3.5017,0,0;3.0928,-1.2679,0;3.9816,-2.2515,0;3.5668,-3.5194,0;4.3489,-4.5919,0;3.5668,-5.6702,0;2.3048,-5.2614,0;2.3048,-3.9283,0;1.1494,-3.2647,0;0,-3.9283,0;0,-5.2614,0;1.1494,-5.925,0; > C10 H11 N O > 161.2004 > OCCC1C2C=CC=CC=2NC=1 > 10235 $$$$