Mrv1652304062002022D 75 74 0 0 1 0 999 V2000 5.7750 18.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 17.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 17.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8125 -0.7145 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 5.3625 16.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 15.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 15.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4000 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8125 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4000 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5750 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1625 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3375 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9250 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1000 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6875 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7875 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7875 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4500 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6250 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0250 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0250 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2125 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2625 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7375 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9125 9.2881 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2625 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9750 8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6750 8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6750 11.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 9.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2625 9.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6750 10.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1500 8.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 8.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 15.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 13.5749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 12.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.6375 3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 12.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.8125 5.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3250 10.0026 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 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 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 24 1 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 42 40 1 0 0 0 0 43 41 1 0 0 0 0 44 39 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 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 59 57 1 0 0 0 0 59 58 1 0 0 0 0 60 54 1 0 0 0 0 61 55 1 0 0 0 0 62 56 1 0 0 0 0 63 60 2 0 0 0 0 64 61 2 0 0 0 0 65 62 2 0 0 0 0 66 57 1 0 0 0 0 66 60 1 0 0 0 0 67 58 1 0 0 0 0 67 61 1 0 0 0 0 59 68 1 1 0 0 0 68 62 1 0 0 0 0 69 16 1 0 0 0 0 70 19 1 0 0 0 0 71 25 1 0 0 0 0 72 26 1 0 0 0 0 73 27 1 0 0 0 0 74 28 1 0 0 0 0 59 75 1 1 0 0 0 M END > BMDB0105263 > bmdb > [H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCCC > InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-40-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,59H,4-15,17-18,20-24,29-58H2,1-3H3/b19-16-,27-25-,28-26-/t59-/m1/s1 > QCJNHNKJSHUPIE-AUSRIQRISA-N > C62H114O6 > 955.588 > 954.861541391 > 3 > 182 > 128.1786707174333 > 0 > 0 > 0 > 0 > (2S)-3-[(13Z)-docos-13-enoyloxy]-2-(pentadecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate > 10.81 > 22.728638029333332 > -8.17 > 0 > 0 > 0 > -6.565867985366662 > 78.9 > 295.25109999999995 > 58 > 0 > 6.51e-06 g/l > (2S)-3-[(13Z)-docos-13-enoyloxy]-2-(pentadecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate > 0 > BMDB0105263 > TG(22:1(13Z)/15:0/22:2(13Z,16Z)) $$$$