5283155 -OEChem-03282415282D 55 54 0 1 0 0 0 0 0999 V2000 6.3301 0.0600 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 3.7320 2.5600 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 1.5600 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 2.0000 5.5600 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 6.3301 1.0600 0.0000 C 0 0 1 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 7.1962 1.5600 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 10.6603 -1.4400 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 10.6603 -0.4400 0.0000 C 0 0 0 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 1.0600 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 8.9282 -4.4400 0.0000 C 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 2.6540 2.4774 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 3.0781 4.6426 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 3.9441 3.1426 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 1.7880 3.9774 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 5.8626 2.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 2.0349 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 2.0000 6.1800 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 4.5981 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.7500 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 10.4048 -2.8323 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 9.1836 -2.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1800 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 8.3176 -3.5477 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 9.1836 0.1677 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 11.1972 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.2500 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 8.9282 2.1800 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 12 1 1 1 0 0 0 1 52 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 10 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 11 2 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 12 15 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 17 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 20 2 0 0 0 0 15 44 1 0 0 0 0 16 23 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 2 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 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 M END > 5283155 > 1 > 392 > 3 > 2 > 14 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAAAgCIACDSCAAAAAAgAAAICAEAAAgIFBIAAQAAUAAEwAAIkAOIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid > (5Z,8Z,10E,12S,14Z)-12-hydroxyeicosa-5,8,10,14-tetraenoic acid > (5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid > (5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid > (5Z,8Z,10E,12S,14Z)-12-oxidanylicosa-5,8,10,14-tetraenoic acid > (5Z,8Z,10E,12S,14Z)-12-hydroxyeicosa-5,8,10,14-tetraenoic acid > InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1 > ZNHVWPKMFKADKW-LQWMCKPYSA-N > 5.2 > 320.23514488 > C20H32O3 > 320.5 > CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)O > CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)O > 57.5 > 320.23514488 > 0 > 23 > 1 > 0 > 4 > 0 > 0 > 1 > -1 > 1 5 255 > 12 1 5 $$$$