53775929 -OEChem-03292409242D 57 56 0 1 0 0 0 0 0999 V2000 17.5885 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3923 0.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9904 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 55 1 0 0 0 0 2 5 1 0 0 0 0 2 17 1 0 0 0 0 3 22 1 0 0 0 0 3 56 1 0 0 0 0 4 22 2 0 0 0 0 5 57 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 14 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 18 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 20 2 3 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 22 1 0 0 0 0 16 46 1 0 0 0 0 17 21 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 3 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 20 23 1 0 0 0 0 20 50 1 0 0 0 0 21 24 2 3 0 0 0 21 51 1 0 0 0 0 23 25 2 3 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 M END > 53775929 > 1 > 437 > 5 > 3 > 15 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAADAAACBSggAICCAAAAgCIACDSCAIAAAAgAAAICAFAAAgJFBIAAQAAUAAEwAAJgAOIgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 8-hydroperoxy-2-hydroxy-icosa-5,9,11,13-tetraenoic acid > 8-hydroperoxy-2-hydroxyeicosa-5,9,11,13-tetraenoic acid > 8-hydroperoxy-2-hydroxyicosa-5,9,11,13-tetraenoic acid > 8-hydroperoxy-2-hydroxyicosa-5,9,11,13-tetraenoic acid > 8-(dioxidanyl)-2-oxidanyl-icosa-5,9,11,13-tetraenoic acid > 8-hydroperoxy-2-hydroxy-eicosa-5,9,11,13-tetraenoic acid > InChI=1S/C20H32O5/c1-2-3-4-5-6-7-8-9-10-12-15-18(25-24)16-13-11-14-17-19(21)20(22)23/h7-13,15,18-19,21,24H,2-6,14,16-17H2,1H3,(H,22,23) > DRXIOWFRFDOJRS-UHFFFAOYSA-N > 4.9 > 352.22497412 > C20H32O5 > 352.5 > CCCCCCC=CC=CC=CC(CC=CCCC(C(=O)O)O)OO > CCCCCCC=CC=CC=CC(CC=CCCC(C(=O)O)O)OO > 87 > 352.22497412 > 0 > 25 > 0 > 2 > 0 > 4 > 0 > 1 > -1 > 1 5 255 > 16 1 3 14 20 1 17 15 3 18 19 1 21 24 1 23 25 1 $$$$