Mrv1652304202021082D 72 71 0 0 1 0 999 V2000 27.1910 -5.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2299 -5.6816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.2687 -5.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1909 -4.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3074 -5.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4798 -6.7916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9851 -6.8054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5889 -5.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3034 -5.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0179 -5.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7324 -5.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4469 -5.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1614 -5.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8758 -5.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5903 -5.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3048 -5.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0192 -5.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7337 -5.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4482 -5.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1627 -5.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8772 -5.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5916 -5.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3061 -5.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0206 -5.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7350 -5.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4496 -5.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1640 -5.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8785 -5.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5930 -5.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5930 -4.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6193 -6.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3337 -7.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0482 -6.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7627 -7.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4771 -6.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1917 -7.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9061 -7.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6206 -6.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3351 -7.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0495 -7.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7640 -6.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4785 -7.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1930 -6.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9075 -7.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6220 -6.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3364 -7.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0509 -6.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7654 -7.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7654 -8.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4724 -4.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1869 -3.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9014 -4.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6159 -4.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3304 -3.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0448 -4.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7593 -4.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4738 -3.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1883 -4.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9027 -4.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6172 -3.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3317 -4.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0462 -4.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7607 -3.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4751 -4.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1896 -4.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9041 -3.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6185 -4.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3331 -4.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0475 -3.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7620 -4.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4765 -3.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4765 -2.7793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 2 6 1 6 0 0 0 2 7 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 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 5 1 0 0 0 0 29 30 2 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 2 0 0 0 0 38 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 2 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 48 2 0 0 0 0 6 48 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 2 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 4 1 0 0 0 0 71 72 2 0 0 0 0 M END > BMDB0010557 > bmdb > [H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,39-40,42-43,48-49,51-52,62H,4-6,9,12-15,22-24,30-31,37-38,41,44-47,50,53-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-,52-49- > MEIOXTFWWGQLIM-YWAUJEJGSA-N > C65H98O6 > 975.47 > 974.736340868 > 3 > 169 > 118.02926574657552 > 0 > 0 > 0 > 0 > 3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 9.34 > 20.081205801000003 > -8.03 > 0 > 0 > 0 > -6.568162903553922 > 78.9 > 321.33669999999984 > 50 > 0 > 9.17e-06 g/l > 3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 0 > BMDB0010557 > TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] $$$$