1-docosanoyl-2-22-methyltricosanoyl-3-octadecanoyl-sn-glycerol TG(22:0/i-24:0/18:0) Mrv1652303052006242D 74 73 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 14.1460 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4318 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7177 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0036 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2894 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5753 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1470 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4329 -5.3710 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 18.1478 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4337 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7196 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0054 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2913 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5771 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8630 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1489 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4347 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7206 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0065 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2923 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5782 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1499 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4358 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7216 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0075 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0075 -7.7327 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 9.8341 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4058 -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 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 1 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 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 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 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 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 56 5 1 0 0 0 0 56 57 2 0 0 0 0 56 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 1 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 M END > FDB042829 > foodb > [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C > InChI=1S/C67H130O6/c1-5-7-9-11-13-15-17-19-21-22-23-27-31-35-39-43-47-51-55-59-66(69)72-62-64(61-71-65(68)58-54-50-46-42-38-34-29-20-18-16-14-12-10-8-6-2)73-67(70)60-56-52-48-44-40-36-32-28-25-24-26-30-33-37-41-45-49-53-57-63(3)4/h63-64H,5-62H2,1-4H3/t64-/m1/s1 > YFRYPCNNHBPLHV-YBWOAVOSSA-N > C67H130O6 > 1031.771 > 1030.986741906 > 3 > 203 > 143.37344512464358 > 0 > 0 > 0 > 0 > (2R)-1-(docosanoyloxy)-3-(octadecanoyloxy)propan-2-yl 22-methyltricosanoate > 10.52 > 25.879696755666664 > -7.95 > 0 > 0 > 0 > -6.565867985366662 > 78.9 > 314.8539 > 65 > 0 > 1.15e-05 g/l > (2R)-1-(docosanoyloxy)-3-(octadecanoyloxy)propan-2-yl 22-methyltricosanoate > 0 > FDB042829 > TG(22:0/i-24:0/18:0) $$$$