70484899 -OEChem-05102418072D 61 61 0 1 0 0 0 0 0999 V2000 2.0000 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 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 0 4.5981 1.2500 0.0000 C 0 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 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8144 2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4344 3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 61 1 0 0 0 0 2 25 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 6 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 7 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 8 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 9 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 12 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 13 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 14 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 18 2 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 52 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 20 54 1 0 0 0 0 21 23 2 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 M END > 70484899 > 1 > 353 > 2 > 1 > 14 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADQCAmAAyCIAAAgCIAiDSCAACAAAgAAAIiAEAAIgIIDKAERCAYAAkgAAIiAeIyOCOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 2-methyl-3-[4-[(Z)-tridec-1-enyl]phenyl]propanoic acid > 2-methyl-3-[4-[(Z)-tridec-1-enyl]phenyl]propanoic acid > 2-methyl-3-[4-[(Z)-tridec-1-enyl]phenyl]propanoic acid > 2-methyl-3-[4-[(Z)-tridec-1-enyl]phenyl]propanoic acid > 2-methyl-3-[4-[(Z)-tridec-1-enyl]phenyl]propanoic acid > 2-methyl-3-[4-[(Z)-tridec-1-enyl]phenyl]propionic acid > InChI=1S/C23H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-15-17-22(18-16-21)19-20(2)23(24)25/h13-18,20H,3-12,19H2,1-2H3,(H,24,25)/b14-13- > UQVUDAVWYBGYFW-YPKPFQOOSA-N > 8.6 > 344.271530387 > C23H36O2 > 344.5 > CCCCCCCCCCCC=CC1=CC=C(C=C1)CC(C)C(=O)O > CCCCCCCCCCC/C=C\C1=CC=C(C=C1)CC(C)C(=O)O > 37.3 > 344.271530387 > 0 > 25 > 0 > 1 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 16 24 3 17 20 8 17 21 8 19 22 8 19 23 8 20 22 8 21 23 8 $$$$