1-(13Z-eicosenoyl)-2-docosanoyl-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol TG(20:1(13Z)/22:0/18:3(9Z,12Z,15Z)) Mrv1652303302021542D 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 19.1445 -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 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 12.4344 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7203 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0062 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2921 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5779 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8638 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1497 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4356 -8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7215 -8.1444 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 14.0077 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2936 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5795 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7545 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0404 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3262 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5012 -6.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7871 -7.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0730 -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 52 5 1 0 0 0 0 29 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 29 30 2 0 0 0 0 29 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 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 52 53 2 0 0 0 0 52 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 2 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 M END > CDB002688 > CDB > [H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC > InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,34,60H,4-8,10-11,13-17,19,22,24-26,28-33,35-59H2,1-3H3/b12-9-,21-18-,23-20-,34-27-/t60-/m1/s1 > AZCBDMAOOAFRDQ-RLGKPBNUSA-N > C63H114O6 > 967.599 > 966.861541391 > 3 > 183 > 129.9413608051429 > 0 > 0 > 0 > 0 > (2S)-1-[(13Z)-icos-13-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl docosanoate > 10.82 > 22.811285037666668 > -8.22 > 0 > 0 > 0 > -6.565867985366684 > 78.9 > 300.9686999999999 > 58 > 0 > 5.84e-06 g/l > (2S)-1-[(13Z)-icos-13-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl docosanoate > 0 > CDB002688 > TG(20:1(13Z)/22:0/18:3(9Z,12Z,15Z)) $$$$