131756470 CDK 1202211636 66 65 0 0 0 0 0 0 0 0999 V2000 9.9524 4.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3814 5.3626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 5.3626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0958 6.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 6.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8117 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5262 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0973 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2407 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3827 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9552 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6682 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6697 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9538 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3841 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 -4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2393 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0986 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 -5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5248 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8132 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8103 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5276 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9524 5.3626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6668 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -6.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0958 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2421 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 39 1 1 6 0 0 0 2 40 1 0 0 0 0 2 42 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 4 42 2 0 0 0 0 5 45 2 0 0 0 0 6 7 1 0 0 0 0 6 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 17 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 22 1 0 0 0 0 18 21 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 27 1 0 0 0 0 23 26 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 36 41 1 0 0 0 0 37 42 1 0 0 0 0 38 43 1 0 0 0 0 39 40 1 0 0 0 0 39 44 1 0 0 0 0 45 46 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 59 2 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 56 58 1 0 0 0 0 57 61 1 0 0 0 0 58 62 1 0 0 0 0 59 60 1 0 0 0 0 60 65 1 0 0 0 0 61 63 2 0 0 0 0 63 64 1 0 0 0 0 64 66 1 0 0 0 0 65 66 2 0 0 0 0 M END > CHEBI:185463 > (2S)-3-(Octadecanoyloxy)-2-(octadecyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate > 2 > [(2S)-3-octadecanoyloxy-2-octadecoxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate > C61H112O5 > 925.562 > 924.85098 > 0 > O(CCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC > InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-58-59(64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)57-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h16,19,25,28,31-32,37,40,59H,4-15,17-18,20-24,26-27,29-30,33-36,38-39,41-58H2,1-3H3/b19-16-,28-25-,32-31-,40-37-/t59-/m0/s1 > FCSMYJQXGWBEFO-XNWOAGELSA-N $$$$