59136571 -OEChem-04252421282D 109108 0 1 0 0 0 0 0999 V2000 12.0632 3.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -4.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -4.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3312 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 3.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4651 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 4.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 4.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 1.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 2.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 2.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 1.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3187 2.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7172 1.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 4.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 4.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4058 1.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0073 2.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 0.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 0.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 4.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 4.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1847 0.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5832 0.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 0.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 0.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2719 0.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8733 0.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 4.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 4.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6772 -1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 -0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0507 -0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4492 -1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 -0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 -1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1379 -1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7394 -0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 4.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 4.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -2.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 -2.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9167 -2.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3153 -2.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 4.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 4.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0039 -2.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6054 -2.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 -2.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 -3.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5239 2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3899 4.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 4.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5474 2.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3944 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1674 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 38 1 0 0 0 0 2108 1 0 0 0 0 3 40 1 0 0 0 0 3109 1 0 0 0 0 4 38 2 0 0 0 0 5 40 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 42 1 0 0 0 0 7 10 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 11 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 9 47 1 0 0 0 0 10 13 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 15 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 14 1 0 0 0 0 12 52 1 0 0 0 0 12 53 1 0 0 0 0 13 18 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 14 17 1 0 0 0 0 14 56 1 0 0 0 0 14 57 1 0 0 0 0 15 19 1 0 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 16 25 1 0 0 0 0 16 60 1 0 0 0 0 16 61 1 0 0 0 0 17 20 1 0 0 0 0 17 62 1 0 0 0 0 17 63 1 0 0 0 0 18 21 1 0 0 0 0 18 64 1 0 0 0 0 18 65 1 0 0 0 0 19 22 1 0 0 0 0 19 66 1 0 0 0 0 19 67 1 0 0 0 0 20 23 1 0 0 0 0 20 68 1 0 0 0 0 20 69 1 0 0 0 0 21 24 1 0 0 0 0 21 70 1 0 0 0 0 21 71 1 0 0 0 0 22 26 1 0 0 0 0 22 72 1 0 0 0 0 22 73 1 0 0 0 0 23 27 1 0 0 0 0 23 74 1 0 0 0 0 23 75 1 0 0 0 0 24 28 1 0 0 0 0 24 76 1 0 0 0 0 24 77 1 0 0 0 0 25 31 2 0 0 0 0 25 78 1 0 0 0 0 26 29 1 0 0 0 0 26 79 1 0 0 0 0 26 80 1 0 0 0 0 27 30 1 0 0 0 0 27 81 1 0 0 0 0 27 82 1 0 0 0 0 28 33 1 0 0 0 0 28 83 1 0 0 0 0 28 84 1 0 0 0 0 29 36 1 0 0 0 0 29 85 1 0 0 0 0 29 86 1 0 0 0 0 30 35 1 0 0 0 0 30 87 1 0 0 0 0 30 88 1 0 0 0 0 31 32 1 0 0 0 0 31 89 1 0 0 0 0 32 34 1 0 0 0 0 32 90 1 0 0 0 0 32 91 1 0 0 0 0 33 38 1 0 0 0 0 33 92 1 0 0 0 0 33 93 1 0 0 0 0 34 37 1 0 0 0 0 34 94 1 0 0 0 0 34 95 1 0 0 0 0 35 40 1 0 0 0 0 35 96 1 0 0 0 0 35 97 1 0 0 0 0 36 98 1 0 0 0 0 36 99 1 0 0 0 0 36100 1 0 0 0 0 37 39 1 0 0 0 0 37101 1 0 0 0 0 37102 1 0 0 0 0 39 41 1 0 0 0 0 39103 1 0 0 0 0 39104 1 0 0 0 0 41105 1 0 0 0 0 41106 1 0 0 0 0 41107 1 0 0 0 0 M END > 59136571 > 1 > 603 > 5 > 2 > 33 > AAADcfB8OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAABgCIACDSCAAAAAAgAAAICAEAAAgAABIAAQACQAAEwAAIAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 10-[(E)-1-(8-carboxyoctyl)non-3-enoxy]octadecanoic acid > 10-[(E)-17-carboxyheptadec-6-en-9-yl]oxyoctadecanoic acid > 10-[(E)-17-carboxyheptadec-6-en-9-yl]oxyoctadecanoic acid > 10-[(E)-17-carboxyheptadec-6-en-9-yl]oxyoctadecanoic acid > 10-[(E)-18-oxidanyl-18-oxidanylidene-octadec-6-en-9-yl]oxyoctadecanoic acid > 10-[(E)-1-(8-carboxyoctyl)non-3-enoxy]stearic acid > InChI=1S/C36H68O5/c1-3-5-7-9-15-21-27-33(29-23-17-11-13-19-25-31-35(37)38)41-34(28-22-16-10-8-6-4-2)30-24-18-12-14-20-26-32-36(39)40/h15,21,33-34H,3-14,16-20,22-32H2,1-2H3,(H,37,38)(H,39,40)/b21-15+ > FHVFCEAPNUKJBJ-RCCKNPSSSA-N > 13 > 580.50667527 > C36H68O5 > 580.9 > CCCCCCCCC(CCCCCCCCC(=O)O)OC(CCCCCCCCC(=O)O)CC=CCCCCC > CCCCCCCCC(CCCCCCCCC(=O)O)OC(CCCCCCCCC(=O)O)C/C=C/CCCCC > 83.8 > 580.50667527 > 0 > 41 > 0 > 2 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 6 8 3 9 12 3 $$$$