57348758 -OEChem-03292403202D 55 54 0 1 0 0 0 0 0999 V2000 8.0622 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7224 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 1 54 1 0 0 0 0 2 23 1 0 0 0 0 2 55 1 0 0 0 0 3 23 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 2 3 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 15 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 23 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 20 2 3 0 0 0 15 45 1 0 0 0 0 16 19 2 3 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 3 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 M END > 57348758 > 1 > 392 > 3 > 2 > 14 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAAAgCIACDSCAAAAAAgAAAICAEAAAgAFBIAAQAAUAAEgAAIEAOIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (13R)-13-hydroxyicosa-5,8,11,14-tetraenoic acid > (13R)-13-hydroxyeicosa-5,8,11,14-tetraenoic acid > (13R)-13-hydroxyicosa-5,8,11,14-tetraenoic acid > (13R)-13-hydroxyicosa-5,8,11,14-tetraenoic acid > (13R)-13-oxidanylicosa-5,8,11,14-tetraenoic acid > (13R)-13-hydroxyeicosa-5,8,11,14-tetraenoic acid > InChI=1S/C20H32O3/c1-2-3-4-10-13-16-19(21)17-14-11-8-6-5-7-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/t19-/m1/s1 > SAKQICHVWOJSNI-LJQANCHMSA-N > 5.2 > 320.23514488 > C20H32O3 > 320.5 > CCCCCC=CC(C=CCC=CCC=CCCCC(=O)O)O > CCCCCC=C[C@H](C=CCC=CCC=CCCCC(=O)O)O > 57.5 > 320.23514488 > 0 > 23 > 1 > 0 > 0 > 4 > 0 > 1 > -1 > 1 5 255 > 11 1 6 15 20 1 16 19 1 21 22 1 8 10 1 $$$$