11976858 -OEChem-03282411082D 59 59 0 1 0 0 0 0 0999 V2000 9.0991 1.7290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 2.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 2.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4651 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0632 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9292 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5950 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 3.4030 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 2.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1607 2.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8637 3.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0666 3.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9326 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7297 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5957 3.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7987 3.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6647 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4617 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2392 2.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4662 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6192 3.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 1.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 1.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -0.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4050 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 4.8796 -2.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -1.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -4.4050 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 13 2 1 1 0 0 0 2 44 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 24 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 6 0 0 0 5 26 1 0 0 0 0 6 9 1 1 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 2 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 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 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 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 20 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 23 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 2 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 M END > 11976858 > 1 > 439 > 4 > 1 > 15 > AAADcfB4OAAAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAABgCIACDSCAAAAAAgAAAICAEAAAgAFBIAIQACUAAEwAAIMAOIwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > methyl (5Z,8Z,11R,12E)-11-hydroxy-13-[(2S,3S)-3-pentyloxiran-2-yl]trideca-5,8,12-trienoate > (5Z,8Z,11R,12E)-11-hydroxy-13-[(2S,3S)-3-pentyl-2-oxiranyl]trideca-5,8,12-trienoic acid methyl ester > methyl (5Z,8Z,11R,12E)-11-hydroxy-13-[(2S,3S)-3-pentyloxiran-2-yl]trideca-5,8,12-trienoate > methyl (5Z,8Z,11R,12E)-11-hydroxy-13-[(2S,3S)-3-pentyloxiran-2-yl]trideca-5,8,12-trienoate > methyl (5Z,8Z,11R,12E)-11-oxidanyl-13-[(2S,3S)-3-pentyloxiran-2-yl]trideca-5,8,12-trienoate > (5Z,8Z,11R,12E)-13-[(2S,3S)-3-amyloxiran-2-yl]-11-hydroxy-trideca-5,8,12-trienoic acid methyl ester > InChI=1S/C21H34O4/c1-3-4-10-14-19-20(25-19)17-16-18(22)13-11-8-6-5-7-9-12-15-21(23)24-2/h5,7-8,11,16-20,22H,3-4,6,9-10,12-15H2,1-2H3/b7-5-,11-8-,17-16+/t18-,19+,20+/m1/s1 > MHXSCMMMTRMMBI-WXIRMZEFSA-N > 4.3 > 350.24570956 > C21H34O4 > 350.5 > CCCCCC1C(O1)C=CC(CC=CCC=CCCCC(=O)OC)O > CCCCC[C@H]1[C@@H](O1)/C=C/[C@@H](C/C=C\C/C=C\CCCC(=O)OC)O > 59.1 > 350.24570956 > 0 > 25 > 3 > 0 > 3 > 0 > 0 > 1 > -1 > 1 5 255 > 13 2 5 5 7 6 6 9 5 $$$$