131760695 CDK 0429211258 69 68 0 0 0 0 0 0 0 0999 V2000 12.3674 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6557 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3701 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6557 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3701 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -7.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 -6.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9412 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -6.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -7.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0847 4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9412 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -7.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -6.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0847 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -6.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -6.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 -7.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6529 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7991 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -7.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 6.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 7.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 7.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 6.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 6.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 7.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 6.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 42 1 1 1 0 0 0 2 43 1 0 0 0 0 2 45 1 0 0 0 0 3 37 2 0 0 0 0 4 47 1 0 0 0 0 4 48 1 0 0 0 0 5 45 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 18 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 17 24 1 0 0 0 0 18 37 1 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 24 32 1 0 0 0 0 25 31 1 0 0 0 0 26 33 1 0 0 0 0 27 34 1 0 0 0 0 28 35 1 0 0 0 0 29 32 2 0 0 0 0 30 36 1 0 0 0 0 31 38 1 0 0 0 0 33 40 1 0 0 0 0 34 39 1 0 0 0 0 35 41 1 0 0 0 0 36 44 1 0 0 0 0 38 45 1 0 0 0 0 39 46 1 0 0 0 0 40 41 2 0 0 0 0 42 43 1 0 0 0 0 42 47 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 56 2 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 53 55 1 0 0 0 0 54 57 1 0 0 0 0 55 58 1 0 0 0 0 56 59 1 0 0 0 0 58 60 2 0 0 0 0 59 62 1 0 0 0 0 60 61 1 0 0 0 0 61 63 1 0 0 0 0 62 64 2 0 0 0 0 63 66 2 0 0 0 0 64 65 1 0 0 0 0 65 68 1 0 0 0 0 66 67 1 0 0 0 0 67 69 1 0 0 0 0 68 69 2 0 0 0 0 M END > CHEBI:172153 > TG(18:1(9Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) > 2 > [(2S)-2-[(Z)-icos-11-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate > C63H108O6 > 961.551 > 960.81459 > 0 > O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC > InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-34,38,41,47,50,60H,4-15,17-18,20-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,41-38-,50-47-/t60-/m0/s1 > PSUBFTTYDUDTOP-PHBFQLJFSA-N $$$$