Mrv1652304052015252D 72 71 0 0 1 0 999 V2000 9.9000 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4000 -20.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2250 -20.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2125 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6375 -20.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0375 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4625 -20.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4500 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8750 -20.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7875 -7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7000 -20.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6875 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6125 -7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1125 -19.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5125 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0250 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7000 -18.5762 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 14.8500 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1125 -17.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2625 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0875 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7000 -17.1473 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 23.5125 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3250 -10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8750 -17.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9250 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7375 -10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4625 -16.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5125 -7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5625 -10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6375 -16.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9250 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9750 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2250 -15.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5125 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4000 -15.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9250 -10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2125 -12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9875 -15.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5125 -10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0375 -12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1625 -15.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9250 -12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6875 -13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5125 -13.5749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.9250 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4500 -12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7500 -11.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0375 -13.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1625 -13.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5125 -12.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 -12.8605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9250 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2250 -21.4341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.8750 -21.4341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1125 -20.7197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9375 -19.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9250 -4.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7500 -5.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9375 -17.8618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1125 -16.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1000 -12.8605 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 2 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 2 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 27 25 1 0 0 0 0 28 27 1 0 0 0 0 29 26 2 0 0 0 0 30 28 1 0 0 0 0 31 24 1 0 0 0 0 32 30 1 0 0 0 0 33 29 1 0 0 0 0 34 31 1 0 0 0 0 35 32 1 0 0 0 0 36 33 1 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 50 47 1 0 0 0 0 51 48 1 0 0 0 0 54 52 1 0 0 0 0 54 53 1 0 0 0 0 55 49 1 0 0 0 0 56 50 1 0 0 0 0 57 51 1 0 0 0 0 58 55 2 0 0 0 0 59 56 2 0 0 0 0 60 57 2 0 0 0 0 61 52 1 0 0 0 0 61 55 1 0 0 0 0 62 53 1 0 0 0 0 62 56 1 0 0 0 0 54 63 1 6 0 0 0 63 57 1 0 0 0 0 64 8 1 0 0 0 0 65 11 1 0 0 0 0 66 17 1 0 0 0 0 67 20 1 0 0 0 0 68 21 1 0 0 0 0 69 24 1 0 0 0 0 70 26 1 0 0 0 0 71 29 1 0 0 0 0 54 72 1 6 0 0 0 M END > BMDB0100368 > bmdb > [H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCC > InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,54H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-53H2,1-3H3/b11-8-,20-17-,24-21-,29-26-/t54-/m1/s1 > HLTSKBNGPCVUQB-GBISFHARSA-N > C57H102O6 > 883.437 > 882.767641004 > 3 > 165 > 117.23042511912675 > 0 > 0 > 0 > 0 > (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl icosanoate > 10.82 > 20.143873047666673 > -8.12 > 0 > 0 > 0 > -6.565867985366706 > 78.9 > 273.36269999999996 > 52 > 0 > 6.65e-06 g/l > (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl icosanoate > 0 > BMDB0100368 > TG(20:0/18:3(9Z,12Z,15Z)/16:1(9Z)) $$$$