1-(6Z,9Z,12Z-octadecatrienoyl)-2-(13Z-eicosenoyl)-3-(13Z-docosenoyl)-sn-glycerol TG(18:3(6Z,9Z,12Z)/20:1(13Z)/22:1(13Z)) Mrv1652303302021122D 70 69 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 19.0336 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3195 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6054 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7804 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0662 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3521 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5271 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8130 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0989 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3847 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6706 -5.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9565 -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 17.4333 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7192 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0050 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2909 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5768 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8627 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1485 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3235 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6094 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8953 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1812 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4671 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7529 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0388 -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 11.1512 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4371 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7230 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0089 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2948 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5806 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8665 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1524 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4383 -6.6225 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 48 5 1 0 0 0 0 27 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 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 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 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 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 48 49 2 0 0 0 0 48 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 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 2 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 M END > CDB002103 > CDB > [H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCC > InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,25,27-28,34,40,43,60H,4-17,19,22,24,26,29-33,35-39,41-42,44-59H2,1-3H3/b21-18-,23-20-,28-25-,34-27-,43-40-/t60-/m0/s1 > DTFSDHGWQZEBCM-JRZXOFLYSA-N > C63H112O6 > 965.583 > 964.845891326 > 3 > 181 > 127.43354766180224 > 0 > 0 > 0 > 0 > (2R)-2-[(13Z)-icos-13-enoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (13Z)-docos-13-enoate > 10.88 > 22.449363381 > -8.22 > 0 > 0 > 0 > -6.565868619786521 > 78.9 > 302.08529999999996 > 57 > 0 > 5.81e-06 g/l > (2R)-2-[(13Z)-icos-13-enoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (13Z)-docos-13-enoate > 0 > CDB002103 > TG(18:3(6Z,9Z,12Z)/20:1(13Z)/22:1(13Z)) $$$$