5281116 DSViewer 3D 0 66 65 0 0 0 0 0 0 0 0999 V2000 -2.9870 -3.8403 -0.2701 O 0 0 0 0 0 0 0 0 0 1 -1.7109 -5.5395 0.5646 O 0 0 0 0 0 0 0 0 0 2 7.2415 -3.1982 -0.3645 C 0 0 0 0 0 0 0 0 0 3 6.0395 -3.9534 0.3332 C 0 0 0 0 0 0 0 0 0 4 8.6306 -3.4425 0.3540 C 0 0 0 0 0 0 0 0 0 5 4.6702 -3.5258 -0.3289 C 0 0 0 0 0 0 0 0 0 6 9.7864 -2.6857 -0.4177 C 0 0 0 0 0 0 0 0 0 7 3.4269 -4.2835 0.2791 C 0 0 0 0 0 0 0 0 0 8 11.1723 -2.7201 0.3458 C 0 0 0 0 0 0 0 0 0 9 2.0976 -3.6966 -0.3258 C 0 0 0 0 0 0 0 0 0 10 18.8898 1.7047 -0.3803 C 0 0 0 0 0 0 0 0 0 11 18.0508 0.6896 0.4612 C 0 0 0 0 0 0 0 0 0 12 12.2691 -1.9470 -0.4887 C 0 0 0 0 0 0 0 0 0 13 20.0450 2.3113 0.4696 C 0 0 0 0 0 0 0 0 0 14 16.8015 0.2171 -0.3558 C 0 0 0 0 0 0 0 0 0 15 0.8140 -4.4489 0.1771 C 0 0 0 0 0 0 0 0 0 16 15.8966 -0.7564 0.4802 C 0 0 0 0 0 0 0 0 0 17 20.8365 3.3509 -0.3719 C 0 0 0 0 0 0 0 0 0 18 13.5912 -1.7552 0.2788 C 0 0 0 0 0 0 0 0 0 19 14.5881 -1.0396 -0.2703 C 0 0 0 0 0 0 0 0 0 20 -0.4593 -3.7222 -0.3744 C 0 0 0 0 0 0 0 0 0 21 21.9346 4.0148 0.4951 C 0 0 0 0 0 0 0 0 0 22 22.7149 5.0497 -0.3456 C 0 0 0 0 0 0 0 0 0 23 -1.7480 -4.4383 0.0127 C 0 0 0 0 0 0 0 0 0 24 7.3182 -3.5461 -1.3946 H 0 0 0 0 0 0 0 0 0 25 7.0304 -2.1289 -0.3564 H 0 0 0 0 0 0 0 0 0 26 6.1747 -5.0289 0.2185 H 0 0 0 0 0 0 0 0 0 27 6.0216 -3.6999 1.3932 H 0 0 0 0 0 0 0 0 0 28 8.5770 -3.0700 1.3769 H 0 0 0 0 0 0 0 0 0 29 8.8461 -4.5110 0.3666 H 0 0 0 0 0 0 0 0 0 30 4.5315 -2.4552 -0.1787 H 0 0 0 0 0 0 0 0 0 31 4.7192 -3.7402 -1.3965 H 0 0 0 0 0 0 0 0 0 32 9.9165 -3.1547 -1.3930 H 0 0 0 0 0 0 0 0 0 33 9.4902 -1.6452 -0.5510 H 0 0 0 0 0 0 0 0 0 34 3.4965 -5.3443 0.0384 H 0 0 0 0 0 0 0 0 0 35 3.4192 -4.1558 1.3615 H 0 0 0 0 0 0 0 0 0 36 11.0592 -2.2451 1.3203 H 0 0 0 0 0 0 0 0 0 37 11.4847 -3.7557 0.4799 H 0 0 0 0 0 0 0 0 0 38 2.0196 -2.6473 -0.0414 H 0 0 0 0 0 0 0 0 0 39 2.1446 -3.7767 -1.4119 H 0 0 0 0 0 0 0 0 0 40 19.3137 1.1890 -1.2419 H 0 0 0 0 0 0 0 0 0 41 18.2382 2.5090 -0.7220 H 0 0 0 0 0 0 0 0 0 42 18.6693 -0.1740 0.7056 H 0 0 0 0 0 0 0 0 0 43 17.7188 1.1714 1.3809 H 0 0 0 0 0 0 0 0 0 44 19.6268 2.8020 1.3485 H 0 0 0 0 0 0 0 0 0 45 20.7184 1.5139 0.7839 H 0 0 0 0 0 0 0 0 0 46 12.4751 -2.5122 -1.3977 H 0 0 0 0 0 0 0 0 0 47 11.8758 -0.9651 -0.7521 H 0 0 0 0 0 0 0 0 0 48 16.2136 1.0902 -0.6389 H 0 0 0 0 0 0 0 0 0 49 17.1411 -0.2996 -1.2534 H 0 0 0 0 0 0 0 0 0 50 0.8305 -5.4778 -0.1823 H 0 0 0 0 0 0 0 0 0 51 0.7927 -4.4444 1.2669 H 0 0 0 0 0 0 0 0 0 52 16.4293 -1.6937 0.6412 H 0 0 0 0 0 0 0 0 0 53 15.6678 -0.2981 1.4423 H 0 0 0 0 0 0 0 0 0 54 21.3019 2.8485 -1.2199 H 0 0 0 0 0 0 0 0 0 55 20.1515 4.1174 -0.7344 H 0 0 0 0 0 0 0 0 0 56 13.7181 -2.1993 1.2661 H 0 0 0 0 0 0 0 0 0 57 14.4632 -0.6482 -1.2799 H 0 0 0 0 0 0 0 0 0 58 -0.4867 -2.7097 0.0283 H 0 0 0 0 0 0 0 0 0 59 -0.3951 -3.6798 -1.4616 H 0 0 0 0 0 0 0 0 0 60 21.4704 4.5156 1.3447 H 0 0 0 0 0 0 0 0 0 61 22.6223 3.2495 0.8552 H 0 0 0 0 0 0 0 0 0 62 23.4856 5.5125 0.2708 H 0 0 0 0 0 0 0 0 0 63 22.0295 5.8168 -0.7061 H 0 0 0 0 0 0 0 0 0 64 23.1811 4.5511 -1.1954 H 0 0 0 0 0 0 0 0 0 65 -3.7247 -4.4307 0.0405 H 0 0 0 0 0 0 0 0 0 66 1 24 1 0 0 0 1 66 1 0 0 0 2 24 2 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 3 25 1 0 0 0 3 26 1 0 0 0 4 6 1 0 0 0 4 27 1 0 0 0 4 28 1 0 0 0 5 7 1 0 0 0 5 29 1 0 0 0 5 30 1 0 0 0 6 8 1 0 0 0 6 31 1 0 0 0 6 32 1 0 0 0 7 9 1 0 0 0 7 33 1 0 0 0 7 34 1 0 0 0 8 10 1 0 0 0 8 35 1 0 0 0 8 36 1 0 0 0 9 13 1 0 0 0 9 37 1 0 0 0 9 38 1 0 0 0 10 16 1 0 0 0 10 39 1 0 0 0 10 40 1 0 0 0 11 12 1 0 0 0 11 14 1 0 0 0 11 41 1 0 0 0 11 42 1 0 0 0 12 15 1 0 0 0 12 43 1 0 0 0 12 44 1 0 0 0 13 19 1 0 0 0 13 47 1 0 0 0 13 48 1 0 0 0 14 18 1 0 0 0 14 45 1 0 0 0 14 46 1 0 0 0 15 17 1 0 0 0 15 49 1 0 0 0 15 50 1 0 0 0 16 21 1 0 0 0 16 51 1 0 0 0 16 52 1 0 0 0 17 20 1 0 0 0 17 53 1 0 0 0 17 54 1 0 0 0 18 22 1 0 0 0 18 55 1 0 0 0 18 56 1 0 0 0 19 20 2 0 0 0 19 57 1 0 0 0 20 58 1 0 0 0 21 24 1 0 0 0 21 59 1 0 0 0 21 60 1 0 0 0 22 23 1 0 0 0 22 61 1 0 0 0 22 62 1 0 0 0 23 63 1 0 0 0 23 64 1 0 0 0 23 65 1 0 0 0 M END > 5281116 > 1 > 284 > 2 > 1 > 19 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAACCAAAAgCIACDSCAAAAAAgAAAICAEAAAgAABIAAQAAQAAEgAAIAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (Z)-docos-13-enoic acid > (Z)-13-docosenoic acid > (Z)-docos-13-enoic acid > (Z)-docos-13-enoic acid > erucic acid > InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9- > DPUOLQHDNGRHBS-KTKRTIGZSA-N > 8.7 > 338.318 > C22H42O2 > 338.568 > CCCCCCCCC=CCCCCCCCCCCCC(=O)O > CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O > 37.3 > 338.318 > 0 > 24 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 1 5 255 $$$$