Mrv1652304062009492D 72 71 0 0 0 0 999 V2000 8.6821 8.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5262 8.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7466 9.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1498 9.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9939 10.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6175 10.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4616 11.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6821 11.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0584 11.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2789 11.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1230 12.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7466 12.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5907 13.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8111 14.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6552 14.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8757 15.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 14.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4725 14.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8488 14.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0048 13.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3811 12.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 12.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9134 11.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0693 10.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0584 7.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2143 6.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5907 6.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7466 5.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1230 4.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3434 5.1139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2789 4.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6552 3.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8111 2.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3434 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7198 0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8757 -0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6552 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8111 -1.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5907 -1.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2143 -0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9939 -1.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6175 -0.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4616 0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0853 0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9293 1.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1498 1.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9939 2.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2143 2.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5907 2.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7466 1.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9939 6.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1498 5.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5262 5.1139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9293 5.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0853 4.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8648 4.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0207 3.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8003 3.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9562 2.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7357 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8916 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2680 0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4885 1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8648 0.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0207 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8003 -0.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9562 -1.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7357 -1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8916 -2.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6712 -2.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8271 -3.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 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 1 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 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 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 26 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 53 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 2 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 2 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 > BMDB0108472 > bmdb > CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC > InChI=1S/C66H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-26,28-30,33-37,40-41,43-44,63H,4-6,8-9,11-15,18,22-23,27,31-32,38-39,42,45-62H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,28-25-,29-26-,35-33-,36-34-,37-30-,43-40-,44-41- > MYJWWYIUFIBLJK-OXGYLKBDSA-N > C66H106O6 > 995.5442 > 994.798941124 > 3 > 178 > 126.26141133219289 > 0 > 0 > 0 > 0 > 3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-2-[(9Z,12Z)-nonadeca-9,12-dienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 10.30 > 21.611539436 > -8.28 > 0 > 0 > 0 > -6.5658679947858 > 78.9 > 322.58789999999993 > 54 > 0 > 5.19e-06 g/l > 3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-2-[(9Z,12Z)-nonadeca-9,12-dienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 0 > BMDB0108472 > TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) $$$$