20839205 -OEChem-03292403052D 54 54 0 1 0 0 0 0 0999 V2000 12.5632 -1.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.0632 -0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1972 0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.9292 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7953 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6613 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5273 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3933 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2594 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1254 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9914 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6248 -0.8434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5016 -0.8434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3278 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5307 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7953 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6613 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1288 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9258 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3933 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2594 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5239 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7269 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6814 -0.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5284 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3014 0.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2150 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 7 1 0 0 0 0 2 32 1 0 0 0 0 3 23 1 0 0 0 0 3 54 1 0 0 0 0 4 23 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 25 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 11 2 0 0 0 0 9 30 1 0 0 0 0 10 12 2 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 2 0 0 0 0 15 39 1 0 0 0 0 16 20 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 22 1 0 0 0 0 20 46 1 0 0 0 0 21 23 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 24 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 M END > 20839205 > 1 > 462 > 4 > 2 > 13 > AAADceB4OAAAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAABgCIACDSCAAAAAAgAAAICAEAAAgBFBIAAQACUAAFwAALEAOIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (5E,8E)-10-hydroxy-10-[3-[(2E,5E)-octa-2,5-dienyl]oxiran-2-yl]deca-5,8-dienoic acid > (5E,8E)-10-hydroxy-10-[3-[(2E,5E)-octa-2,5-dienyl]-2-oxiranyl]deca-5,8-dienoic acid > (5E,8E)-10-hydroxy-10-[3-[(2E,5E)-octa-2,5-dienyl]oxiran-2-yl]deca-5,8-dienoic acid > (5E,8E)-10-hydroxy-10-[3-[(2E,5E)-octa-2,5-dienyl]oxiran-2-yl]deca-5,8-dienoic acid > (5E,8E)-10-[3-[(2E,5E)-octa-2,5-dienyl]oxiran-2-yl]-10-oxidanyl-deca-5,8-dienoic acid > (5E,8E)-10-hydroxy-10-[3-[(2E,5E)-octa-2,5-dienyl]oxiran-2-yl]deca-5,8-dienoic acid > InChI=1S/C20H30O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h3-4,6-7,9,11-12,14,17-18,20-21H,2,5,8,10,13,15-16H2,1H3,(H,22,23)/b4-3+,7-6+,12-9+,14-11+ > OBMDDWFJCHGNRL-CQZYIZKUSA-N > 3.6 > 334.21440943 > C20H30O4 > 334.4 > CCC=CCC=CCC1C(O1)C(C=CCC=CCCCC(=O)O)O > CC/C=C/C/C=C/CC1C(O1)C(/C=C/C/C=C/CCCC(=O)O)O > 70.1 > 334.21440943 > 0 > 24 > 0 > 3 > 4 > 0 > 0 > 1 > -1 > 1 5 255 > 5 1 3 7 2 3 6 8 3 $$$$