53422646 -OEChem-03292409252D 57 56 0 1 0 0 0 0 0999 V2000 8.9282 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0950 0.0000 C 0 0 3 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 8.0622 0.4050 0.0000 C 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 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0950 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 2.8660 0.4050 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 2.0000 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.0950 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 15.8564 -0.0950 0.0000 C 0 0 0 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 14.1244 -0.0950 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 17.5885 -0.0950 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 9.4651 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 42 1 0 0 0 0 2 23 1 0 0 0 0 2 57 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 5 10 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 11 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 13 1 0 0 0 0 8 31 1 0 0 0 0 8 32 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 14 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 3 0 0 0 11 37 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 2 3 0 0 0 14 41 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 20 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 22 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 2 3 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 M END > 53422646 > 1 > 356 > 3 > 2 > 15 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAAAgCIACDSCAAAAAAgAAAICAEAAAgAEBIAAQAAQAAEwAAIAAOIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 12-hydroxyicosa-5,8,14-trienoic acid > 12-hydroxyeicosa-5,8,14-trienoic acid > 12-hydroxyicosa-5,8,14-trienoic acid > 12-hydroxyicosa-5,8,14-trienoic acid > 12-oxidanylicosa-5,8,14-trienoic acid > 12-hydroxyeicosa-5,8,14-trienoic acid > InChI=1S/C20H34O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13,19,21H,2-6,12,14-18H2,1H3,(H,22,23) > RFAKHEWADWLSJX-UHFFFAOYSA-N > 5.4 > 322.25079494 > C20H34O3 > 322.5 > CCCCCC=CCC(CCC=CCC=CCCCC(=O)O)O > CCCCCC=CCC(CCC=CCC=CCCCC(=O)O)O > 57.5 > 322.25079494 > 0 > 23 > 0 > 1 > 0 > 3 > 0 > 1 > 1 > 1 5 255 > 4 1 3 11 12 1 14 16 1 20 21 1 $$$$