231 -OEChem-03192400462D 54 53 0 0 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5239 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3899 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1674 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3944 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5474 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 54 1 0 0 0 0 2 22 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 6 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 11 2 3 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 14 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 16 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 22 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 17 2 3 0 0 0 14 44 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 19 2 3 0 0 0 16 48 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 2 3 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 M END > 231 > 1 > 362 > 2 > 1 > 14 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAACCAAAAgCIACDSCAAAAAAgAAAICAEAAAgAABIAAQAAQAAEgAAIAAOIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > icosa-5,8,11,14-tetraenoic acid > eicosa-5,8,11,14-tetraenoic acid > icosa-5,8,11,14-tetraenoic acid > icosa-5,8,11,14-tetraenoic acid > icosa-5,8,11,14-tetraenoic acid > eicosa-5,8,11,14-tetraenoic acid > InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22) > YZXBAPSDXZZRGB-UHFFFAOYSA-N > 6.3 > 304.240230259 > C20H32O2 > 304.5 > CCCCCC=CCC=CCC=CCC=CCCCC(=O)O > CCCCCC=CCC=CCC=CCC=CCCCC(=O)O > 37.3 > 304.240230259 > 0 > 22 > 0 > 0 > 0 > 4 > 0 > 1 > -1 > 1 5 255 > 14 17 1 16 19 1 20 21 1 7 11 1 $$$$