67895822 -OEChem-03292408312D 43 46 0 0 0 0 0 0 0999 V2000 2.8660 1.6144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8598 -1.8396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6326 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7495 1.5084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4724 1.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1780 1.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4724 0.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1445 1.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8501 2.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4053 0.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0774 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8166 2.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3718 0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0439 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3047 -0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 -0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7160 1.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9768 0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5990 -0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4389 2.3896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6694 2.1817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9099 -0.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6884 2.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9678 0.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.1956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2541 2.4613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5334 -0.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4328 -1.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1535 1.6908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5760 0.1269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.6514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4223 -2.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 23 1 0 0 0 0 2 26 1 0 0 0 0 2 43 1 0 0 0 0 3 26 2 0 0 0 0 4 20 1 0 0 0 0 4 24 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 29 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 13 2 0 0 0 0 11 30 1 0 0 0 0 12 16 2 0 0 0 0 12 31 1 0 0 0 0 13 16 1 0 0 0 0 14 18 1 0 0 0 0 14 32 1 0 0 0 0 15 19 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 25 2 0 0 0 0 22 37 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END > 67895822 > 1 > 692 > 4 > 1 > 5 > AAADceB6MAAAAAAAAAAAAAAAAABAAAAAAAA8QIAAAAAQAAABwAAAHgAACAAADAzBngY+iJIIFgCoAzT3TACCiCA1IiAI2CE4bNgIJvrAtZGEcYhmwAHI+ceY2eKOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 2-[4-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]phenyl]pyridine-3-carboxylic acid > 2-[4-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]phenyl]-3-pyridinecarboxylic acid > 2-[4-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]phenyl]pyridine-3-carboxylic acid > 2-[4-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]phenyl]pyridine-3-carboxylic acid > 2-[4-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]phenyl]pyridine-3-carboxylic acid > 2-[4-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]phenyl]nicotinic acid > InChI=1S/C22H17NO3/c1-26-18-9-8-16-12-17(20(16)13-18)11-14-4-6-15(7-5-14)21-19(22(24)25)3-2-10-23-21/h2-10,12-13H,11H2,1H3,(H,24,25) > TZYXYOYJGZIKOT-UHFFFAOYSA-N > 3.2 > 343.12084340 > C22H17NO3 > 343.4 > COC1=CC2=C(C=C2C=C1)CC3=CC=C(C=C3)C4=C(C=CC=N4)C(=O)O > COC1=CC2=C(C=C2C=C1)CC3=CC=C(C=C3)C4=C(C=CC=N4)C(=O)O > 59.4 > 343.12084340 > 0 > 26 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 8 10 15 8 11 13 8 12 16 8 13 16 8 14 18 8 15 19 8 17 18 8 17 19 8 20 21 8 21 22 8 22 25 8 24 25 8 4 20 8 4 24 8 6 11 8 6 8 8 8 12 8 $$$$