1-(9Z-hexadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) Mrv1652304052020542D 68 67 0 0 1 0 999 V2000 24.1443 -6.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1832 -7.0352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2219 -6.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1442 -5.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2606 -7.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4330 -8.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9384 -8.1590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4298 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4298 -4.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7156 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0015 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2873 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5732 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8591 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1450 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4308 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7167 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8916 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1775 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4633 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7492 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0351 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3210 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6068 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7185 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7185 -9.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0044 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2902 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5761 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7511 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0370 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3228 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4978 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7837 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0695 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2445 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5304 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8162 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9912 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2771 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5629 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7379 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0238 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3096 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5955 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8814 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1672 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5462 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5462 -5.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8320 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1179 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4038 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6897 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8646 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1505 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4363 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6113 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8972 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1831 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3581 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6439 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9297 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1047 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3906 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6765 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9623 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5341 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 1 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 4 8 1 0 0 0 0 5 3 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 25 6 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 48 5 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 M END > FDB105032 > foodb > [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32-33,36-37,40,42,45-46,49,58H,4-15,18,22-23,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,40-37-,45-42-,49-46-/t58-/m0/s1 > XLQYGTGWDICQPH-MHJOQZHTSA-N > C61H98O6 > 927.449 > 926.736340876 > 3 > 165 > 116.17854843941757 > 0 > 0 > 0 > 0 > (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate > 10.21 > 19.750617767666668 > -8.27 > 0 > 0 > 0 > -6.56701980309439 > 78.9 > 298.46629999999993 > 50 > 0 > 5.00e-06 g/l > (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate > 0 > FDB105032 > TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) $$$$