131761103 CDK 0427212326 63 62 0 0 0 0 0 0 0 0999 V2000 13.0818 1.9058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 0.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 0.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 1.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -0.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 2.7308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9412 1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6557 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3701 1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0847 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -3.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -4.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -3.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7991 1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -4.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -2.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -5.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -5.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 -6.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -7.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5136 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -7.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -6.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -6.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -6.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -7.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 1.4933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3659 -7.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 0.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -6.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -7.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 2.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 3.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 3.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 4.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 5.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 5.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 5.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 5.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 6.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 6.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 7.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 39 1 1 1 0 0 0 2 41 1 0 0 0 0 2 43 1 0 0 0 0 3 34 2 0 0 0 0 4 44 1 0 0 0 0 4 46 1 0 0 0 0 5 43 2 0 0 0 0 6 46 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 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 16 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 22 1 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 21 25 1 0 0 0 0 22 31 1 0 0 0 0 23 26 1 0 0 0 0 24 34 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 33 1 0 0 0 0 28 37 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 30 35 1 0 0 0 0 32 36 1 0 0 0 0 33 43 1 0 0 0 0 35 38 1 0 0 0 0 36 40 1 0 0 0 0 37 40 2 0 0 0 0 38 42 1 0 0 0 0 39 41 1 0 0 0 0 39 44 1 0 0 0 0 42 45 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 M END > CHEBI:170826 > TG(20:1(11Z)/16:0/18:4(6Z,9Z,12Z,15Z)) > 2 > [(2S)-2-hexadecanoyloxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] (Z)-icos-11-enoate > C57H100O6 > 881.421 > 880.75199 > 0 > O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC > InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,34,37,54H,4-7,9-10,12-16,18-19,21-24,28,30-33,35-36,38-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,37-34-/t54-/m1/s1 > WQMRXKLRGJHYMP-JEVVKXRESA-N $$$$