Mrv1652304062003062D 77 76 0 0 1 0 999 V2000 22.7290 -1.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5846 -12.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6822 5.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0666 -0.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -11.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5876 4.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1612 0.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -12.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4988 0.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7612 -12.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1554 3.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5934 1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4237 -12.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8178 2.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9310 1.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -13.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7232 2.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0256 2.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9915 -13.9073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3856 1.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3632 3.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7485 -13.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2910 0.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4578 4.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4110 -14.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7953 4.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1681 -13.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0383 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2627 -12.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9436 3.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1866 3.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0198 -12.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0919 2.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1144 -11.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3349 1.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8715 -11.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2402 1.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9661 -10.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4832 0.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9534 0.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7232 -10.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3885 0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8178 -9.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6315 -0.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8588 -0.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5749 -9.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5368 -1.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5212 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6695 -8.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7797 -1.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4266 -1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4266 -8.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6851 -2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0890 -2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5212 -7.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9280 -2.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9944 -3.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 -5.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9817 -4.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2246 -4.8922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2783 -6.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8334 -3.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6568 -3.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9407 -7.3508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4958 -3.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4139 -3.2531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3729 -6.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0763 -3.7448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5622 -4.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 -13.7434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -14.7268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2149 4.4507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3163 -14.8907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8900 5.4342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8305 -14.2351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8871 -5.3839 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 1 0 0 0 0 20 17 2 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 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 31 1 0 0 0 0 33 30 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 38 36 1 0 0 0 0 39 37 1 0 0 0 0 40 38 1 0 0 0 0 41 24 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 44 42 1 0 0 0 0 45 43 1 0 0 0 0 46 41 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 50 47 1 0 0 0 0 51 48 1 0 0 0 0 52 49 1 0 0 0 0 53 50 1 0 0 0 0 54 51 1 0 0 0 0 55 52 1 0 0 0 0 56 53 1 0 0 0 0 57 54 1 0 0 0 0 58 55 1 0 0 0 0 61 59 1 0 0 0 0 61 60 1 0 0 0 0 62 56 1 0 0 0 0 63 57 1 0 0 0 0 64 58 1 0 0 0 0 65 62 2 0 0 0 0 66 63 2 0 0 0 0 67 64 2 0 0 0 0 68 59 1 0 0 0 0 68 62 1 0 0 0 0 69 60 1 0 0 0 0 69 63 1 0 0 0 0 61 70 1 6 0 0 0 70 64 1 0 0 0 0 71 17 1 0 0 0 0 72 20 1 0 0 0 0 73 25 1 0 0 0 0 74 26 1 0 0 0 0 75 27 1 0 0 0 0 76 28 1 0 0 0 0 61 77 1 6 0 0 0 M END > BMDB0105724 > bmdb > [H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCCC > InChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,25-28,61H,4-16,18-19,21-24,29-60H2,1-3H3/b20-17-,27-25-,28-26-/t61-/m1/s1 > KSXXIGZHTWNGAO-RNYWEOEBSA-N > C64H118O6 > 983.642 > 982.89284152 > 3 > 188 > 132.46434078744508 > 0 > 0 > 0 > 0 > (2S)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-(pentadecanoyloxy)propyl (15Z)-tetracos-15-enoate > 10.81 > 23.61777535933333 > -8.20 > 0 > 0 > 0 > -6.565867985366662 > 78.9 > 304.4530999999999 > 60 > 0 > 6.25e-06 g/l > (2S)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-(pentadecanoyloxy)propyl (15Z)-tetracos-15-enoate > 0 > BMDB0105724 > TG(24:1(15Z)/15:0/22:2(13Z,16Z)) $$$$