5283201 -OEChem-03282418462D 55 55 0 1 0 0 0 0 0999 V2000 6.5010 -3.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -2.5670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -2.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8671 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4394 -3.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5626 -3.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2656 -1.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4685 -1.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -1.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -1.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 -3.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1316 -3.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9976 -1.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2006 -1.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0666 -3.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8637 -3.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6412 -2.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8681 -1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0212 -1.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -1.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -0.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 0.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 2.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 2.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 1.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 1.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 2.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 23 1 0 0 0 0 2 55 1 0 0 0 0 3 23 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 6 0 0 0 4 24 1 0 0 0 0 5 7 1 6 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 10 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 2 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 20 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 22 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 M END > 5283201 > 1 > 396 > 3 > 1 > 14 > AAADcfB4MAAAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAABgCIACDSCAAAAAAgAAAICAEAAAgAABIAAQACQAAEwAAIAAOIwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (5Z,8Z,11Z)-13-[(2R,3S)-3-pentyloxiran-2-yl]trideca-5,8,11-trienoic acid > (5Z,8Z,11Z)-13-[(2R,3S)-3-pentyl-2-oxiranyl]trideca-5,8,11-trienoic acid > (5Z,8Z,11Z)-13-[(2R,3S)-3-pentyloxiran-2-yl]trideca-5,8,11-trienoic acid > (5Z,8Z,11Z)-13-[(2R,3S)-3-pentyloxiran-2-yl]trideca-5,8,11-trienoic acid > (5Z,8Z,11Z)-13-[(2R,3S)-3-pentyloxiran-2-yl]trideca-5,8,11-trienoic acid > (5Z,8Z,11Z)-13-[(2R,3S)-3-amyloxiran-2-yl]trideca-5,8,11-trienoic acid > InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-/t18-,19+/m0/s1 > JBSCUHKPLGKXKH-LLZJRKGESA-N > 5.3 > 320.23514488 > C20H32O3 > 320.5 > CCCCCC1C(O1)CC=CCC=CCC=CCCCC(=O)O > CCCCC[C@H]1[C@H](O1)C/C=C\C/C=C\C/C=C\CCCC(=O)O > 49.8 > 320.23514488 > 0 > 23 > 2 > 0 > 3 > 0 > 0 > 1 > -1 > 1 5 255 > 4 6 6 5 7 6 $$$$