52921898 -OEChem-05072401462D 56 56 0 1 0 0 0 0 0999 V2000 6.5010 -3.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1270 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0010 -3.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -2.6270 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8671 -2.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 -3.1270 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 9.5991 -2.6270 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 9.5991 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 -1.1270 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 10.4651 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3730 0.0000 C 0 0 0 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 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -3.7280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4394 -3.5654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2656 -2.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4685 -2.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 -3.7470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.7470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1360 -2.9370 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 9.3871 -1.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9885 -1.7346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6772 -1.7096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0757 -1.0193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -1.7346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -1.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2531 0.4556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8546 -0.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5432 -0.2096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9417 0.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9512 1.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7112 1.3730 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 3.6150 -0.2096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 0.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 1.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 1.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 1.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 1.9807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.9930 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 24 1 0 0 0 0 3 56 1 0 0 0 0 4 24 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 6 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 0 0 0 0 8 9 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 15 1 0 0 0 0 12 34 1 0 0 0 0 13 14 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 18 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 20 2 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 M END > 52921898 > 1 > 425 > 4 > 2 > 14 > AAADcfB4OAAAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAABgCIACDSCAAAAAAgAAAICAEAAAgBFBIAAQACUAAFwAALEAOIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (5Z,8Z)-10-hydroxy-10-[(3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid > (5Z,8Z)-10-hydroxy-10-[(3S)-3-[(Z)-oct-2-enyl]-2-oxiranyl]deca-5,8-dienoic acid > (5Z,8Z)-10-hydroxy-10-[(3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid > (5Z,8Z)-10-hydroxy-10-[(3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid > (5Z,8Z)-10-[(3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]-10-oxidanyl-deca-5,8-dienoic acid > (5Z,8Z)-10-hydroxy-10-[(3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid > InChI=1S/C20H32O4/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/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/b7-6-,12-9-,14-11-/t17?,18-,20?/m0/s1 > DWNBPRRXEVJMPO-ZWHGVJDHSA-N > 4.3 > 336.23005950 > C20H32O4 > 336.5 > CCCCCC=CCC1C(O1)C(C=CCC=CCCCC(=O)O)O > CCCCC/C=C\C[C@H]1C(O1)C(/C=C\C/C=C\CCCC(=O)O)O > 70.1 > 336.23005950 > 0 > 24 > 1 > 2 > 3 > 0 > 0 > 1 > -1 > 1 5 255 > 7 2 3 5 25 3 6 8 6 $$$$