Mrv0541 02241201062D 74 73 0 0 1 0 999 V2000 27.9276 -8.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9665 -8.6870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.0053 -8.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9276 -7.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0441 -8.6870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2164 -9.7970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7217 -9.8108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3256 -8.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0400 -8.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7545 -8.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4690 -8.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1835 -8.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8980 -8.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6124 -8.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3269 -8.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0414 -8.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7558 -8.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4703 -8.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1848 -8.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8993 -8.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6138 -8.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3282 -8.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0427 -8.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7572 -8.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4717 -8.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1862 -8.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9007 -8.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6151 -8.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3296 -8.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3296 -7.4495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9269 -9.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6414 -10.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3559 -9.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0703 -10.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7848 -9.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4993 -10.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2138 -10.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9283 -9.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6428 -10.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3572 -10.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0717 -9.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7862 -10.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5006 -10.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2151 -9.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9296 -10.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6441 -10.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3586 -9.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0730 -10.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7875 -9.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5020 -10.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5020 -11.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2091 -7.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9235 -6.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6380 -7.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3525 -7.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0670 -6.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7815 -7.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4959 -7.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2104 -6.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9249 -7.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6393 -7.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3538 -6.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0683 -7.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7828 -7.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4973 -6.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2117 -7.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9262 -7.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6407 -6.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3551 -7.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0697 -7.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7841 -6.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4986 -7.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2131 -6.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2131 -5.7847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 2 6 1 6 0 0 0 2 7 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 5 1 0 0 0 0 29 30 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 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 6 1 0 0 0 0 50 51 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 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 69 70 2 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 4 1 0 0 0 0 73 74 2 0 0 0 0 M END > BMDB0010559 > bmdb > [H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C67H98O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-37,40-45,49-54,64H,4-6,9,12-15,22-24,31-32,35,38-39,46-48,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,52-49-,53-50-,54-51- > BIMRUUBGKLOKIW-YYKGGSGCSA-N > C67H98O6 > 999.4914 > 998.736340868 > 3 > 119.77395495102488 > 0 > 0 > 0 > 0 > 3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 9.11 > 20.246499817666667 > -7.81 > 0 > 0 > 0 > -6.568201538186382 > 78.9 > 332.77189999999985 > 50 > 0 > 1.56e-05 g/l > 3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 0 > BMDB0010559 > TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] $$$$