131759296 CDK 0427212325 61 60 0 0 0 0 0 0 0 0999 V2000 14.5108 3.7621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 2.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 2.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 3.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 0.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 4.5871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9412 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6557 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3701 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0847 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7991 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5136 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2281 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9426 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -2.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 3.3496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5080 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -2.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 -3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 28 1 1 1 0 0 0 2 35 1 0 0 0 0 2 43 1 0 0 0 0 3 22 2 0 0 0 0 4 37 1 0 0 0 0 4 51 1 0 0 0 0 5 43 2 0 0 0 0 6 51 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 30 1 0 0 0 0 27 33 1 0 0 0 0 28 35 1 0 0 0 0 28 37 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 30 39 1 0 0 0 0 31 34 1 0 0 0 0 32 36 1 0 0 0 0 33 43 1 0 0 0 0 34 41 1 0 0 0 0 36 44 1 0 0 0 0 38 40 1 0 0 0 0 38 42 1 0 0 0 0 39 46 2 0 0 0 0 40 45 1 0 0 0 0 41 48 1 0 0 0 0 42 46 1 0 0 0 0 44 49 1 0 0 0 0 45 47 1 0 0 0 0 47 50 1 0 0 0 0 49 52 2 0 0 0 0 51 53 1 0 0 0 0 52 55 1 0 0 0 0 53 54 1 0 0 0 0 54 56 1 0 0 0 0 55 57 1 0 0 0 0 56 58 1 0 0 0 0 57 60 2 0 0 0 0 58 61 2 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 M END > CHEBI:170740 > TG(16:1(9Z)/16:0/20:3(5Z,8Z,11Z)) > 2 > [(2S)-2-hexadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate > C55H98O6 > 855.383 > 854.73634 > 0 > O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC > InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20,23,25-26,28,31,36,39,52H,4-19,21-22,24,27,29-30,32-35,37-38,40-51H2,1-3H3/b23-20-,26-25-,31-28-,39-36-/t52-/m0/s1 > JWNWCIRXPXBJCL-VEBFPZQCSA-N $$$$