1-(13Z-docosenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-3-docosanoyl-sn-glycerol TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:0) Mrv1652303302022092D 72 71 0 0 0 0 999 V2000 24.1437 -6.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1826 -7.0350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2214 -6.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1436 -5.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2601 -7.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4325 -8.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9378 -8.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4292 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4292 -4.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7151 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0010 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2868 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5727 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8586 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1445 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4304 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7162 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0021 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2880 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5739 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8597 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0347 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3206 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6065 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8924 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1783 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4641 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0359 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3218 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7180 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7180 -9.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0039 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2898 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5756 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8615 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1474 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3224 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6083 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8942 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0692 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3550 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6409 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8159 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1018 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3877 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6735 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9594 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2453 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5457 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5457 -5.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8316 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1175 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4033 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6892 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9751 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2610 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5469 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8327 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1186 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4045 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6904 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9762 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2621 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5480 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8339 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1198 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4056 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6915 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9774 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5492 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 2 6 1 6 0 0 0 2 7 1 1 0 0 0 50 5 1 0 0 0 0 31 6 1 0 0 0 0 4 8 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 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 2 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 2 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 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 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 M END > CDB002908 > CDB > [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC > 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/h18,21,25,27-28,36,44,47,62H,4-17,19-20,22-24,26,29-35,37-43,45-46,48-61H2,1-3H3/b21-18-,28-25-,36-27-,47-44-/t62-/m0/s1 > SVEJVZMCLJAGFE-CRCQWRODSA-N > C65H118O6 > 995.653 > 994.89284152 > 3 > 189 > 134.04057815017347 > 0 > 0 > 0 > 0 > (2R)-3-(docosanoyloxy)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (13Z)-docos-13-enoate > 10.84 > 23.70042236766667 > -8.24 > 0 > 0 > 0 > -6.565868601086638 > 78.9 > 310.1707 > 60 > 0 > 5.75e-06 g/l > (2R)-3-(docosanoyloxy)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (13Z)-docos-13-enoate > 0 > CDB002908 > TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:0) $$$$