131757084 CDK 0429211258 69 68 0 0 0 0 0 0 0 0999 V2000 13.0818 4.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 3.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 6.6001 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 15.2253 5.3626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 7.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -4.5376 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 11.6529 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 -5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -6.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -7.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -7.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 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 4.5080 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 6.1876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2224 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 6.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 6.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 6.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 6.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 6.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 6.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 6.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 6.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 6.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 6.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 6.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 6.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9412 6.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 6.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9412 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 6.6001 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 8.0804 5.3626 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 21.6557 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6557 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 19.5122 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 26 2 0 0 0 0 30 3 1 1 0 0 0 3 42 1 0 0 0 0 4 38 1 0 0 0 0 4 48 1 0 0 0 0 5 42 2 0 0 0 0 6 48 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 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 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 30 38 1 0 0 0 0 31 33 1 0 0 0 0 32 37 1 0 0 0 0 33 40 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 39 1 0 0 0 0 36 41 1 0 0 0 0 37 44 1 0 0 0 0 39 42 1 0 0 0 0 40 45 1 0 0 0 0 41 43 1 0 0 0 0 43 46 1 0 0 0 0 45 47 2 0 0 0 0 46 52 2 0 0 0 0 47 50 1 0 0 0 0 48 49 1 0 0 0 0 49 51 1 0 0 0 0 50 55 1 0 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 53 56 1 0 0 0 0 54 60 1 0 0 0 0 55 57 2 0 0 0 0 56 59 2 0 0 0 0 57 58 1 0 0 0 0 58 59 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 63 64 2 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 M END > CHEBI:172193 > TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)) > 2 > [(2S)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxypropyl] icosanoate > C63H108O6 > 961.551 > 960.81459 > 0 > O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC > InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,34,36-37,39,43,46,60H,4-8,10-11,13-17,19-20,22-24,26,29,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-/t60-/m1/s1 > UENIZIUNYHNISU-UEZAZLNNSA-N $$$$