131756248 CDK 0429211258 69 68 0 0 0 0 0 0 0 0999 V2000 13.0818 2.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 1.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 4.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 3.8693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 3.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 5.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -3.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -3.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -4.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -4.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -5.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -1.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -6.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -0.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -6.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 -7.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 -8.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -8.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 3.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 3.8693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9370 0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 4.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 3.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 4.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 4.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 3.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 3.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 4.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 4.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 3.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 4.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 3.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 3.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 4.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 4.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 3.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 5.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 3.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 6.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 6.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 6.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 6.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9412 5.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 7.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9412 6.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 6.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 6.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 7.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 7.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 7.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 7.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 28 1 0 0 0 0 2 24 2 0 0 0 0 30 3 1 1 0 0 0 3 40 1 0 0 0 0 4 34 1 0 0 0 0 4 44 1 0 0 0 0 5 40 2 0 0 0 0 6 44 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 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 27 31 1 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 30 34 1 0 0 0 0 31 33 1 0 0 0 0 32 36 1 0 0 0 0 33 39 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 37 41 1 0 0 0 0 38 40 1 0 0 0 0 39 43 2 0 0 0 0 41 42 1 0 0 0 0 42 48 1 0 0 0 0 43 46 1 0 0 0 0 44 45 1 0 0 0 0 45 47 1 0 0 0 0 46 50 1 0 0 0 0 47 49 1 0 0 0 0 48 51 2 0 0 0 0 49 52 1 0 0 0 0 50 53 2 0 0 0 0 51 55 1 0 0 0 0 52 56 2 0 0 0 0 53 54 1 0 0 0 0 54 56 1 0 0 0 0 55 61 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 58 60 1 0 0 0 0 59 62 1 0 0 0 0 60 64 1 0 0 0 0 61 63 2 0 0 0 0 62 66 2 0 0 0 0 63 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:172271 > TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)) > 2 > [(2S)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-3-octadecanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate > C63H108O6 > 961.551 > 960.81459 > 0 > O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC > InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,31,33,35,38-39,42,44,47,60H,4-15,17-18,20-24,27,30,32,34,36-37,40-41,43,45-46,48-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-/t60-/m0/s1 > UKBXDUZMIHROTA-QSYHSVTDSA-N $$$$