56624317 -OEChem-03282422362D 57 56 0 1 0 0 0 0 0999 V2000 8.9282 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 39 1 0 0 0 0 2 7 1 0 0 0 0 2 40 1 0 0 0 0 3 21 2 0 0 0 0 4 25 1 0 0 0 0 4 57 1 0 0 0 0 5 25 2 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 7 9 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 12 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 14 2 3 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 16 2 3 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 15 21 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 20 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 23 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 22 2 3 0 0 0 20 50 1 0 0 0 0 21 24 1 0 0 0 0 22 51 1 0 0 0 0 23 25 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 M END > 56624317 > 1 > 451 > 5 > 3 > 15 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAAAgCIAKDSCAAAAAAgAAAICAEAAAgBEBIAAQAAQAAEwAAJAAOIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 11,12-dihydroxy-19-oxo-icosa-5,8,14-trienoic acid > 11,12-dihydroxy-19-oxoeicosa-5,8,14-trienoic acid > 11,12-dihydroxy-19-oxoicosa-5,8,14-trienoic acid > 11,12-dihydroxy-19-oxoicosa-5,8,14-trienoic acid > 11,12-bis(oxidanyl)-19-oxidanylidene-icosa-5,8,14-trienoic acid > 11,12-dihydroxy-19-keto-eicosa-5,8,14-trienoic acid > InChI=1S/C20H32O5/c1-17(21)13-9-7-8-11-15-19(23)18(22)14-10-5-3-2-4-6-12-16-20(24)25/h2,4-5,8,10-11,18-19,22-23H,3,6-7,9,12-16H2,1H3,(H,24,25) > FFUYSEQPOBTWAT-UHFFFAOYSA-N > 2.3 > 352.22497412 > C20H32O5 > 352.5 > CC(=O)CCCC=CCC(C(CC=CCC=CCCCC(=O)O)O)O > CC(=O)CCCC=CCC(C(CC=CCC=CCCCC(=O)O)O)O > 94.8 > 352.22497412 > 0 > 25 > 0 > 2 > 0 > 3 > 0 > 1 > -1 > 1 5 255 > 6 1 3 10 14 1 12 16 1 7 2 3 20 22 1 $$$$