Mrv1652303302021062D 70 69 0 0 1 0 999 V2000 17.1268 -9.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2747 11.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5341 7.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5842 -8.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8173 10.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2183 -7.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9940 10.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7233 7.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6757 -6.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5366 9.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0892 6.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4990 -7.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7133 9.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9125 6.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8649 -7.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2559 9.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2784 5.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6882 -7.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4326 9.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1018 5.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1456 -7.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9752 8.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4677 4.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9689 -7.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1519 8.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4263 -6.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6945 7.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2910 4.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0604 -5.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0604 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6569 3.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5178 -5.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6030 6.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4802 3.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1519 -4.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9689 5.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8461 3.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3286 -4.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5115 5.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6694 3.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9626 -3.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8774 4.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0353 2.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4200 -2.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4200 3.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8586 2.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0541 -2.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7860 2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4138 0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6030 0.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2371 0.7541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2246 1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5115 -1.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3286 2.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7672 0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3348 -1.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5053 2.2329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0479 1.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1456 -0.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6945 1.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4075 -8.4358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0541 -8.5414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3348 -7.9076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7860 9.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2496 -6.5344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8712 7.9369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3411 -5.1084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6093 -3.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7797 0.0675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 16 2 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 21 1 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 27 25 2 0 0 0 0 28 26 2 0 0 0 0 29 24 1 0 0 0 0 30 27 1 0 0 0 0 31 28 1 0 0 0 0 32 29 1 0 0 0 0 33 30 1 0 0 0 0 34 31 1 0 0 0 0 35 32 1 0 0 0 0 36 33 2 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 44 41 1 0 0 0 0 45 42 1 0 0 0 0 46 43 1 0 0 0 0 47 44 1 0 0 0 0 48 45 1 0 0 0 0 49 46 1 0 0 0 0 52 50 1 0 0 0 0 52 51 1 0 0 0 0 53 47 1 0 0 0 0 54 48 1 0 0 0 0 55 49 1 0 0 0 0 56 53 2 0 0 0 0 57 54 2 0 0 0 0 58 55 2 0 0 0 0 59 50 1 0 0 0 0 59 53 1 0 0 0 0 60 51 1 0 0 0 0 60 54 1 0 0 0 0 52 61 1 6 0 0 0 61 55 1 0 0 0 0 62 16 1 0 0 0 0 63 19 1 0 0 0 0 64 25 1 0 0 0 0 65 26 1 0 0 0 0 66 27 1 0 0 0 0 67 28 1 0 0 0 0 68 33 1 0 0 0 0 69 36 1 0 0 0 0 52 70 1 6 0 0 0 M END > CDB002007 > CDB > [H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC > InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,33,36,52H,4-15,17-18,20-24,29-32,34-35,37-51H2,1-3H3/b19-16-,27-25-,28-26-,36-33-/t52-/m1/s1 > ZZYGNXBDVZTTTC-HPABRVSLSA-N > C55H98O6 > 855.383 > 854.736340876 > 3 > 159 > 112.04771296041906 > 0 > 0 > 0 > 0 > (2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate > 10.77 > 19.254735717666666 > -8.12 > 0 > 0 > 0 > -6.565868619786542 > 78.9 > 264.16069999999996 > 50 > 0 > 6.56e-06 g/l > (2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate > 0 > CDB002007 > TG(18:3(6Z,9Z,12Z)/18:1(9Z)/16:0) $$$$