131755554 CDK 0427212326 59 58 0 0 0 0 0 0 0 0999 V2000 13.7963 3.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 4.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 5.3626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 6.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 4.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -6.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9412 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9412 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 1 40 1 0 0 0 0 2 38 1 0 0 0 0 2 41 1 0 0 0 0 3 39 1 0 0 0 0 3 42 1 0 0 0 0 4 37 2 0 0 0 0 5 38 2 0 0 0 0 6 42 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 31 35 1 0 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 34 38 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 M END > CHEBI:171392 > TG(16:0/18:4(6Z,9Z,12Z,15Z)/16:0) > 2 > 1,3-di(hexadecanoyloxy)propan-2-yl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate > C53H94O6 > 827.329 > 826.70504 > 0 > O(C(=O)CCCCCCCCCCCCCCC)CC(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCC > InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,32,35,50H,4-6,8-9,11-15,17-18,20-24,27-31,33-34,36-49H2,1-3H3/b10-7-,19-16-,26-25-,35-32- > VSBCOFFQOLCDQB-BSQIPOHNSA-N $$$$