Mrv0541 02241200492D 109108 0 0 1 0 999 V2000 27.6660 -12.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0841 -11.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6116 -10.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1386 -13.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0297 -9.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9111 -11.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2497 -11.4306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3456 -8.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3844 -9.1614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4232 -8.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3068 -9.1614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4620 -9.1614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5784 -9.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1653 -10.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5331 -8.7558 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.6616 -9.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5331 -7.4596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6268 -13.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6656 -13.7136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7044 -13.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5880 -13.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7432 -13.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8316 -14.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4185 -14.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8143 -13.2403 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 25.8143 -12.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3948 -14.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7435 -9.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4579 -8.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1724 -9.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8869 -9.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6014 -8.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3159 -9.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0303 -9.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7448 -8.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4593 -9.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1738 -9.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8882 -8.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6028 -9.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3172 -9.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0317 -8.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7462 -9.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4606 -9.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1751 -8.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8896 -9.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6041 -9.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3186 -8.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0330 -9.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7475 -8.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7475 -7.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2889 -9.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0034 -10.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7178 -9.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4323 -9.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1468 -10.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8612 -9.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5757 -9.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2902 -10.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0047 -9.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7192 -9.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4337 -10.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1481 -9.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8626 -9.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5771 -10.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2916 -9.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0061 -10.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7205 -9.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4350 -10.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1495 -9.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8639 -10.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8639 -11.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9711 -14.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6855 -14.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4000 -14.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1145 -14.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8289 -14.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5435 -14.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2579 -14.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9724 -14.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6869 -14.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4013 -14.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1158 -14.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8303 -14.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5448 -14.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2593 -14.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9737 -14.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6882 -14.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4027 -14.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1172 -14.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1172 -15.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8826 -13.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5971 -13.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3115 -13.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0260 -13.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7405 -13.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4550 -13.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1695 -13.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8839 -13.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5984 -13.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3129 -13.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0274 -13.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7418 -13.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4564 -13.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1708 -13.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8853 -13.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5998 -13.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3142 -13.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0287 -13.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0287 -12.4761 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 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 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 1 0 0 0 0 49 12 1 0 0 0 0 49 50 2 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 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 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 13 1 0 0 0 0 70 71 2 0 0 0 0 73 72 1 0 0 0 0 74 73 1 0 0 0 0 75 74 1 0 0 0 0 76 75 1 0 0 0 0 77 76 1 0 0 0 0 78 77 2 0 0 0 0 79 78 1 0 0 0 0 80 79 1 0 0 0 0 81 80 2 0 0 0 0 82 81 1 0 0 0 0 83 82 1 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 23 89 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 2 0 0 0 0 98 97 1 0 0 0 0 99 98 1 0 0 0 0 100 99 2 0 0 0 0 101100 1 0 0 0 0 102101 1 0 0 0 0 103102 2 0 0 0 0 104103 1 0 0 0 0 105104 1 0 0 0 0 106105 1 0 0 0 0 107106 1 0 0 0 0 108107 1 0 0 0 0 109108 2 0 0 0 0 22108 1 0 0 0 0 M END > BMDB0010310 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC > InChI=1S/C87H140O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-45-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-28,33-38,40,42-44,46,48,50-52,55,60,64,81-83,88H,5-8,11-12,15-20,29-32,39,41,45,47,49,53-54,56-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,42-40-,43-35-,44-36-,50-46-,52-48-,55-51-,64-60-/t81-,82-,83-/m1/s1 > DCBMWSYEFDFYQK-RMTOSZLISA-N > C87H140O17P2 > 1519.9798 > 1518.956576078 > 9 > 173.03574153586578 > 0 > 3 > 0 > 0 > [(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy][2-hydroxy-3-({hydroxy[(2R)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid > 8.80 > 24.50825352133333 > -7.15 > 0 > 0 > -2 > 2.191804358215194 > 1.5897376143163346 > -3.4105029523385797 > 236.94999999999996 > 451.2646999999998 > 77 > 0 > 1.06e-04 g/l > (2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy(2-hydroxy-3-{[hydroxy(2R)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphoryl]oxy}propoxy)phosphinic acid > 0 > BMDB0010310 > CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) $$$$