56842208 -OEChem-03282422082D 106104 0 0 0 0 0 0 0999 V2000 0.5369 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 11.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 10.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 14.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 14.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 14.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 14.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 14.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 15.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 16.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 15.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 16.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 11.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 15.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 11.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 14.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 11.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 12.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 11.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 14.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 13.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 11.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8078 5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4092 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7206 6.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1191 5.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 6.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5432 7.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 15.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 15.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 13.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 13.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 13.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 13.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 13.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 14.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7751 8.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1551 6.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 15.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 14.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 14.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 15.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 16.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 15.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 15.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 16.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 10.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 10.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 12.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 12.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 12.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 12.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 15.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7206 14.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1191 13.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 10.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1191 13.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7206 12.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 11.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 14.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 12.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 11.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 86 1 0 0 0 0 2 15 2 0 0 0 0 3 42 1 0 0 0 0 3106 1 0 0 0 0 4 42 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 8 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 9 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 10 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 11 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 10 12 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 15 1 0 0 0 0 11 55 1 0 0 0 0 11 56 1 0 0 0 0 12 13 2 0 0 0 0 12 57 1 0 0 0 0 13 18 1 0 0 0 0 13 58 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 59 1 0 0 0 0 14 60 1 0 0 0 0 16 19 1 0 0 0 0 16 61 1 0 0 0 0 16 62 1 0 0 0 0 17 22 1 0 0 0 0 17 63 1 0 0 0 0 17 64 1 0 0 0 0 18 23 1 0 0 0 0 18 65 1 0 0 0 0 18 66 1 0 0 0 0 19 26 1 0 0 0 0 19 67 1 0 0 0 0 19 68 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 20 69 1 0 0 0 0 20 70 1 0 0 0 0 21 25 1 0 0 0 0 21 71 1 0 0 0 0 21 72 1 0 0 0 0 22 23 2 0 0 0 0 22 73 1 0 0 0 0 23 74 1 0 0 0 0 24 27 1 0 0 0 0 24 75 1 0 0 0 0 24 76 1 0 0 0 0 25 28 1 0 0 0 0 25 77 1 0 0 0 0 25 78 1 0 0 0 0 26 79 1 0 0 0 0 26 80 1 0 0 0 0 26 81 1 0 0 0 0 27 82 1 0 0 0 0 27 83 1 0 0 0 0 27 84 1 0 0 0 0 28 29 2 0 0 0 0 28 85 1 0 0 0 0 29 30 1 0 0 0 0 29 87 1 0 0 0 0 30 31 1 0 0 0 0 30 88 1 0 0 0 0 30 89 1 0 0 0 0 31 34 2 0 0 0 0 31 90 1 0 0 0 0 32 33 1 0 0 0 0 32 35 1 0 0 0 0 32 91 1 0 0 0 0 32 92 1 0 0 0 0 33 37 1 0 0 0 0 33 93 1 0 0 0 0 33 94 1 0 0 0 0 34 36 1 0 0 0 0 34 97 1 0 0 0 0 35 42 1 0 0 0 0 35 95 1 0 0 0 0 35 96 1 0 0 0 0 36 40 1 0 0 0 0 36 98 1 0 0 0 0 36 99 1 0 0 0 0 37 39 2 0 0 0 0 37100 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 38101 1 0 0 0 0 38102 1 0 0 0 0 39103 1 0 0 0 0 40 41 2 0 0 0 0 40104 1 0 0 0 0 41105 1 0 0 0 0 M END > 56842208 > 1 > 629 > 4 > 2 > 28 > AAADcfB8OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAACCAAAAgCIACDSCAAAAAAgAAAICAEAAAgAABIAAQAAQAAEgAAIAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;(9Z,12Z)-octadeca-9,12-dienoic acid > (5Z,8Z,11Z,14Z)-eicosa-5,8,11,14-tetraenoic acid;(9Z,12Z)-octadeca-9,12-dienoic acid > (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;(9Z,12Z)-octadeca-9,12-dienoic acid > (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;(9Z,12Z)-octadeca-9,12-dienoic acid > (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;(9Z,12Z)-octadeca-9,12-dienoic acid > (5Z,8Z,11Z,14Z)-eicosa-5,8,11,14-tetraenoic acid;(9Z,12Z)-octadeca-9,12-dienoic acid > InChI=1S/C20H32O2.C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-,16-15-;7-6-,10-9- > ZCDMRPMKAQLWAO-PZLFCYFRSA-N > 584.48046052 > C38H64O4 > 584.9 > CCCCCC=CCC=CCCCCCCCC(=O)O.CCCCCC=CCC=CCC=CCC=CCCCC(=O)O > CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O > 74.6 > 584.48046052 > 0 > 42 > 0 > 0 > 6 > 0 > 0 > 2 > -1 > 1 5 255 $$$$