131764317 CDK 0427212325 65 64 0 0 0 0 0 0 0 0999 V2000 11.3814 2.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0958 1.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 2.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9524 0.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 3.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6668 -0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0973 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8117 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3827 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5262 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2407 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6682 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9552 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9538 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6697 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2393 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3841 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5248 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0986 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8103 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8132 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0958 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6668 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9524 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6668 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 -1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 -2.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 -1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 -2.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9524 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 -3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 -4.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 -5.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 6.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3814 -4.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 5.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3814 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 -6.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 5.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6668 -5.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 6.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0958 -3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 4.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 -6.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 4.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 -6.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 6.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6668 -6.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 5.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9524 -6.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 7.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8103 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 22 2 0 0 0 0 3 24 1 0 0 0 0 3 36 1 0 0 0 0 4 25 1 0 0 0 0 4 37 1 0 0 0 0 5 36 2 0 0 0 0 6 37 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 12 1 0 0 0 0 10 11 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 26 28 1 0 0 0 0 26 30 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 0 0 0 0 28 34 1 0 0 0 0 29 35 1 0 0 0 0 30 32 1 0 0 0 0 31 33 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 35 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 2 0 0 0 0 41 43 2 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 48 1 0 0 0 0 46 52 1 0 0 0 0 47 49 1 0 0 0 0 47 53 1 0 0 0 0 48 54 1 0 0 0 0 49 55 1 0 0 0 0 50 56 2 0 0 0 0 51 57 2 0 0 0 0 52 60 1 0 0 0 0 53 61 1 0 0 0 0 54 64 1 0 0 0 0 55 65 1 0 0 0 0 56 58 1 0 0 0 0 57 59 1 0 0 0 0 58 62 1 0 0 0 0 59 63 1 0 0 0 0 60 62 2 0 0 0 0 61 63 2 0 0 0 0 M END > CHEBI:170377 > TG(20:3n6/16:0/20:3n6) > 2 > [2-hexadecanoyloxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate > C59H102O6 > 907.459 > 906.76764 > 0 > O(C(=O)CCCCCCCCCCCCCCC)C(COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC > InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-32,34-35,56H,4-15,18,21-24,29-30,33,36-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,35-32- > UTZAWQJMCQVSSZ-BPHLTKLBSA-N $$$$