5280914 -OEChem-09272320512D 57 56 0 1 0 0 0 0 0999 V2000 6.8671 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 0.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5273 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4492 2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0507 1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8733 0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2719 1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7394 1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1379 2.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3153 3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9167 3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7033 3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0833 4.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 1 0 0 0 1 48 1 0 0 0 0 12 2 1 6 0 0 0 2 49 1 0 0 0 0 13 3 1 1 0 0 0 3 50 1 0 0 0 0 4 19 1 0 0 0 0 4 57 1 0 0 0 0 5 19 2 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 15 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 13 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 1 0 0 0 0 12 37 1 0 0 0 0 13 18 1 0 0 0 0 13 38 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 19 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 20 2 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 21 2 0 0 0 0 18 47 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 21 23 1 0 0 0 0 21 52 1 0 0 0 0 22 24 2 0 0 0 0 22 53 1 0 0 0 0 23 25 2 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 56 1 0 0 0 0 M END > 5280914 > 1 > 451 > 5 > 4 > 14 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAAAgCIACDSCAAAAAAgAAAICAEAAAgJFBIAAQAAUAAEwAAJkAOI7CTAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid > (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyeicosa-7,9,11,13-tetraenoic acid > (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid > (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid > (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-tris(oxidanyl)icosa-7,9,11,13-tetraenoic acid > (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyeicosa-7,9,11,13-tetraenoic acid > InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1 > IXAQOQZEOGMIQS-SSQFXEBMSA-N > 3.1 > 352.22497412 > C20H32O5 > 352.5 > CCCCCC(C=CC=CC=CC=CC(C(CCCC(=O)O)O)O)O > CCCCC[C@@H](/C=C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)O)O > 98 > 352.22497412 > 0 > 25 > 3 > 0 > 4 > 0 > 0 > 1 > 1 > 1 5 255 > 6 1 5 12 2 6 13 3 5 $$$$