1-(13Z-docosenoyl)-2-(5Z,8Z,11Z-eicosatrienoyl)-3-(15Z-tetracosenoyl)-sn-glycerol TG(22:1(13Z)/20:3(5Z,8Z,11Z)/24:1(15Z)) Mrv1652304062002232D 76 75 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 17.0025 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2884 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5742 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8601 -4.9579 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 11.8927 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1785 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4644 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7502 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0361 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3220 -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 18.8620 -8.5577 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 16.6087 -8.5577 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 14.3554 -8.5577 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 12.1021 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3880 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6738 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9597 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2455 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5314 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8173 -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 16.9755 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2614 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5472 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8331 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1189 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4048 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6907 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9766 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2624 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5483 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7232 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0091 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2950 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5808 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1526 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4384 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7243 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0101 -6.6227 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 1 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 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 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 30 1 0 0 0 0 31 6 1 0 0 0 0 31 32 2 0 0 0 0 31 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 1 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 51 1 0 0 0 0 52 5 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 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 2 0 0 0 0 68 69 1 0 0 0 0 69 70 1 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 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 M END > FDB107466 > foodb > [H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC > InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,42,45,51,54,66H,4-24,31-41,43-44,46-50,52-53,55-65H2,1-3H3/b28-25-,29-26-,30-27-,45-42-,54-51-/t66-/m0/s1 > PZMYVKJIRXGZHA-YBOLWBFLSA-N > C69H124O6 > 1049.745 > 1048.939791713 > 3 > 199 > 141.3776326520363 > 0 > 0 > 0 > 0 > (2R)-3-[(13Z)-docos-13-enoyloxy]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (15Z)-tetracos-15-enoate > 10.83 > 25.116775371 > -8.26 > 0 > 0 > 0 > -6.565906416373746 > 78.9 > 329.69129999999996 > 63 > 0 > 5.83e-06 g/l > (2R)-3-[(13Z)-docos-13-enoyloxy]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (15Z)-tetracos-15-enoate > 0 > FDB107466 > TG(22:1(13Z)/20:3(5Z,8Z,11Z)/24:1(15Z)) $$$$