1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(13Z,16Z-docosadienoyl)-3-octadecyl-sn-glycerol TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/o-18:0) Mrv1652304062012452D 71 70 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 18.3199 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6058 -5.3710 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 16.0666 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3525 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6383 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8133 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0992 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3851 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5600 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8459 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1317 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3067 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5926 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8785 -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 18.1478 -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 12.3239 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6097 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8956 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0705 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3564 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6423 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9281 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2140 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4999 -8.1446 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 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 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 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 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 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 2 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 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 54 5 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 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 M END > BMDB0109514 > bmdb > [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C65H114O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33,35,40,43,63H,4-6,8-9,11-15,18,21-24,27,30-32,34,36-39,41-42,44-62H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,43-40-/t63-/m1/s1 > PZEHUBFJSJXQBH-NGBPCARISA-N > C65H114O5 > 975.622 > 974.866626771 > 3 > 184 > 129.5267837243894 > 0 > 0 > 0 > 0 > (2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-(octadecyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 11.10 > 22.995452993666667 > -8.14 > 0 > 0 > 0 > -4.140450214925578 > 61.830000000000005 > 313.7659 > 57 > 0 > 7.12e-06 g/l > (2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-(octadecyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 0 > BMDB0109514 > TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/O-18:0) $$$$