56847420 -OEChem-03282416222D 58 58 0 1 0 0 0 0 0999 V2000 7.3671 -5.4930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -4.6270 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 -4.6270 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7331 -4.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 -4.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3730 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3055 -5.0654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4287 -5.0654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1316 -3.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 -3.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -3.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -3.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2891 -5.1639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1360 -4.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9091 -4.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -3.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -2.5444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 1.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 1.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 2.7904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 3.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 3.8981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 3.8981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 5.3480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 5.3480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 4.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 15 1 0 0 0 0 2 57 1 0 0 0 0 3 26 1 0 0 0 0 3 58 1 0 0 0 0 4 26 2 0 0 0 0 5 6 1 0 0 0 0 5 7 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 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 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 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 17 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 42 1 0 0 0 0 16 19 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 M END > 56847420 > 1 > 528 > 4 > 2 > 14 > AAADcfB4OAAAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAABgCIACDSCAAAAAAgAAAICAEAAAgIFBIAAQACUAAEwAAIkAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (4Z,7Z,11Z,13Z,16Z)-18-(3-ethyloxiran-2-yl)-10-hydroxy-octadeca-4,7,11,13,16-pentaenoic acid > (4Z,7Z,11Z,13Z,16Z)-18-(3-ethyl-2-oxiranyl)-10-hydroxyoctadeca-4,7,11,13,16-pentaenoic acid > (4Z,7Z,11Z,13Z,16Z)-18-(3-ethyloxiran-2-yl)-10-hydroxyoctadeca-4,7,11,13,16-pentaenoic acid > (4Z,7Z,11Z,13Z,16Z)-18-(3-ethyloxiran-2-yl)-10-hydroxyoctadeca-4,7,11,13,16-pentaenoic acid > (4Z,7Z,11Z,13Z,16Z)-18-(3-ethyloxiran-2-yl)-10-oxidanyl-octadeca-4,7,11,13,16-pentaenoic acid > (4Z,7Z,11Z,13Z,16Z)-18-(3-ethyloxiran-2-yl)-10-hydroxy-octadeca-4,7,11,13,16-pentaenoic acid > InChI=1S/C22H32O4/c1-2-20-21(26-20)17-13-9-5-3-7-11-15-19(23)16-12-8-4-6-10-14-18-22(24)25/h3,6-13,15,19-21,23H,2,4-5,14,16-18H2,1H3,(H,24,25)/b7-3-,10-6-,12-8-,13-9-,15-11- > KVORRBCAUFJBRM-KUAPMTIYSA-N > 4.3 > 360.23005950 > C22H32O4 > 360.5 > CCC1C(O1)CC=CCC=CC=CC(CC=CCC=CCCC(=O)O)O > CCC1C(O1)C/C=C\C/C=C\C=C/C(C/C=C\C/C=C\CCC(=O)O)O > 70.1 > 360.23005950 > 0 > 26 > 0 > 3 > 5 > 0 > 0 > 1 > -1 > 1 5 255 > 15 2 3 5 7 3 6 8 3 $$$$