9548886 -OEChem-03292401052D 56 55 0 1 0 0 0 0 0999 V2000 7.1962 -2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -4.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -3.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -4.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.5851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.5851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 2.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 3.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 2.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 1.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 3.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 2.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 0.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -0.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 11 1 1 1 0 0 0 2 55 1 0 0 0 0 3 24 1 0 0 0 0 3 56 1 0 0 0 0 4 24 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 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 15 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 37 1 0 0 0 0 12 19 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 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 20 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 21 1 0 0 0 0 15 44 1 0 0 0 0 16 24 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 21 2 0 0 0 0 17 47 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 22 2 0 0 0 0 19 50 1 0 0 0 0 20 23 2 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 M END > 9548886 > 1 > 408 > 4 > 2 > 15 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAADAAACBSggAICCAAAAgCIACDSCAAAAAAgAAAICAEAAAgIBBIAAQAAUAAEwAAIgAOIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (5Z,8Z,11R,12E,14Z)-11-hydroperoxyicosa-5,8,12,14-tetraenoic acid > (5Z,8Z,11R,12E,14Z)-11-hydroperoxyeicosa-5,8,12,14-tetraenoic acid > (5Z,8Z,11R,12E,14Z)-11-hydroperoxyicosa-5,8,12,14-tetraenoic acid > (5Z,8Z,11R,12E,14Z)-11-hydroperoxyicosa-5,8,12,14-tetraenoic acid > (5Z,8Z,11R,12E,14Z)-11-(dioxidanyl)icosa-5,8,12,14-tetraenoic acid > (5Z,8Z,11R,12E,14Z)-11-hydroperoxyeicosa-5,8,12,14-tetraenoic acid > InChI=1S/C20H32O4/c1-2-3-4-5-7-10-13-16-19(24-23)17-14-11-8-6-9-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b9-6-,10-7-,14-11-,16-13+/t19-/m0/s1 > PCGWZQXAGFGRTQ-WXMXURGXSA-N > 5.2 > 336.23005950 > C20H32O4 > 336.5 > CCCCCC=CC=CC(CC=CCC=CCCCC(=O)O)OO > CCCCC/C=C\C=C\[C@@H](C/C=C\C/C=C\CCCC(=O)O)OO > 66.8 > 336.23005950 > 0 > 24 > 1 > 0 > 4 > 0 > 0 > 1 > -1 > 1 5 255 > 11 1 5 $$$$