Mrv0541 02241200352D 101100 0 0 1 0 999 V2000 26.6173 -11.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0354 -10.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5629 -9.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0899 -12.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9810 -8.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8624 -9.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2010 -9.8784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2969 -7.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3357 -7.6092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3745 -7.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2581 -7.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4133 -7.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5297 -8.4256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1166 -8.4679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4844 -7.2037 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.6129 -7.5253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4844 -5.9074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5781 -11.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6169 -12.1615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6557 -11.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5393 -12.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6945 -12.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7829 -13.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3698 -13.0481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7656 -11.6881 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 24.7656 -10.8631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3461 -12.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5527 -7.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2672 -7.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9817 -7.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6961 -7.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4106 -7.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1251 -7.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8396 -7.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5541 -7.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2685 -7.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9830 -7.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6975 -7.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4119 -7.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1265 -7.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8409 -7.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5554 -7.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2699 -7.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9843 -7.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6988 -7.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6988 -6.3717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6691 -8.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3836 -8.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0981 -8.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8126 -8.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5270 -8.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2416 -8.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9560 -8.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6705 -8.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3850 -8.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0994 -8.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8139 -8.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5284 -8.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2429 -8.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9574 -8.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6718 -8.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3863 -8.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1008 -8.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8152 -8.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8152 -9.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3514 -13.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0659 -13.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7804 -13.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4948 -13.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2093 -13.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9238 -13.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6382 -13.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3527 -13.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0672 -13.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7816 -13.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4961 -13.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2106 -13.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9251 -13.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6395 -13.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3540 -13.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0685 -13.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0685 -14.2433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8339 -11.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5484 -12.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2629 -11.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9773 -12.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6918 -11.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4063 -12.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1208 -11.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8353 -11.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5497 -12.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2642 -11.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9787 -12.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6931 -11.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4077 -12.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1221 -11.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8366 -12.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5511 -11.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2655 -12.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9800 -11.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9800 -10.9240 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 1 0 0 0 2 7 1 6 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 9 13 1 6 0 0 0 9 14 1 1 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 5 1 0 0 0 0 15 11 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 19 23 1 6 0 0 0 19 24 1 1 0 0 0 25 4 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 21 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 2 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 1 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 2 0 0 0 0 12 45 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 53 52 2 0 0 0 0 54 53 1 0 0 0 0 55 54 1 0 0 0 0 56 55 2 0 0 0 0 57 56 1 0 0 0 0 58 57 1 0 0 0 0 59 58 1 0 0 0 0 60 59 1 0 0 0 0 61 60 1 0 0 0 0 62 61 1 0 0 0 0 63 62 1 0 0 0 0 64 63 1 0 0 0 0 65 64 2 0 0 0 0 13 64 1 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 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 23 1 0 0 0 0 81 82 2 0 0 0 0 84 83 1 0 0 0 0 85 84 1 0 0 0 0 86 85 1 0 0 0 0 87 86 1 0 0 0 0 88 87 1 0 0 0 0 89 88 1 0 0 0 0 90 89 2 0 0 0 0 91 90 1 0 0 0 0 92 91 1 0 0 0 0 93 92 1 0 0 0 0 94 93 1 0 0 0 0 95 94 1 0 0 0 0 96 95 1 0 0 0 0 97 96 1 0 0 0 0 98 97 1 0 0 0 0 99 98 1 0 0 0 0 100 99 1 0 0 0 0 101100 2 0 0 0 0 22100 1 0 0 0 0 M END > BMDB0010236 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C79H144O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h22-23,25-27,29,34-35,37-38,73-75,80H,5-21,24,28,30-33,36,39-72H2,1-4H3,(H,85,86)(H,87,88)/b26-22-,27-23-,29-25-,37-34-,38-35-/t73-,74-,75-/m1/s1 > QJDCRBFYYZCZEC-IICWTOEYSA-N > C79H144O17P2 > 1427.926 > 1426.987876206 > 9 > 171.48790371171938 > 0 > 3 > 0 > 0 > [(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy][3-({[(2R)-2-(hexadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid > 9.10 > 24.570920768 > -7.30 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 403.2907 > 79 > 0 > 7.22e-05 g/l > (2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(3-{[(2R)-2-(hexadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid > 0 > BMDB0010236 > CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/16:0) $$$$