1-(13Z-docosenoyl)-2-(9Z-octadecenoyl)-3-(13Z,16Z-docosadienoyl)-sn-glycerol TG(22:1(13Z)/18:1(9Z)/22:2(13Z,16Z)) Mrv1652304062002202D 72 71 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 18.1478 -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 15.1804 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4662 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7521 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0380 -8.1446 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 10.1814 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4673 -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 11.1515 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4374 -7.0358 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 8.8982 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1841 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4700 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7558 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3275 -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 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 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 2 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 50 5 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 53 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 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 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 M END > FDB107443 > foodb > [H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC > InChI=1S/C65H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,36,62H,4-15,17-18,20-24,30-35,37-61H2,1-3H3/b19-16-,28-25-,29-26-,36-27-/t62-/m1/s1 > KGECRIBKHLSBQG-CIJSQZROSA-N > C65H118O6 > 995.653 > 994.89284152 > 3 > 189 > 133.15651984579893 > 0 > 0 > 0 > 0 > (2S)-3-[(13Z)-docos-13-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate > 10.78 > 23.70042236766667 > -8.25 > 0 > 0 > 0 > -6.565867985366683 > 78.9 > 310.1706999999999 > 60 > 0 > 5.59e-06 g/l > (2S)-3-[(13Z)-docos-13-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate > 0 > FDB107443 > TG(22:1(13Z)/18:1(9Z)/22:2(13Z,16Z)) $$$$