Mrv0541 02241200382D 109108 0 0 1 0 999 V2000 27.2605 -8.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6787 -7.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2061 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7331 -9.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6243 -5.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5056 -7.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8443 -7.0818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9402 -4.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9790 -4.8126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0177 -4.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9013 -4.8126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0565 -4.8126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1730 -5.6289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7598 -5.6712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1277 -4.4070 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.2561 -4.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1277 -3.1108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2213 -8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2601 -9.3648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2989 -8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1825 -9.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3377 -9.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4261 -10.2091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0130 -10.2514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4089 -8.8915 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 25.4089 -8.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9893 -9.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1959 -4.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9104 -4.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6249 -4.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3393 -4.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0538 -4.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7684 -4.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4828 -4.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1973 -4.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9118 -4.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6262 -4.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3407 -4.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0552 -4.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7697 -4.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4841 -4.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1986 -4.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9131 -4.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6275 -4.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3420 -4.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3420 -3.5751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0482 -9.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7626 -8.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4771 -9.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1916 -9.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9060 -8.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6205 -9.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3350 -9.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0495 -8.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 -9.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4785 -9.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1929 -8.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9074 -9.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6219 -9.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3363 -8.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0509 -9.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7653 -8.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4798 -9.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1943 -8.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9087 -9.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6232 -8.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6232 -8.1273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1366 -10.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8511 -10.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5656 -10.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2800 -10.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9945 -10.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7090 -10.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4234 -10.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1380 -10.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8524 -10.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5669 -10.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2814 -10.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9958 -10.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7103 -10.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4248 -10.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1393 -10.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8538 -10.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5682 -10.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2827 -10.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9972 -10.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7117 -10.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7117 -11.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8834 -5.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5979 -6.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3123 -5.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0269 -5.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7413 -6.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4558 -5.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1702 -5.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8848 -6.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5993 -5.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3137 -5.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0282 -6.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7426 -5.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4571 -5.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1716 -6.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8861 -5.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6006 -6.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3150 -5.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0296 -6.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7440 -5.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4584 -6.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4584 -6.8664 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 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 1 0 0 0 0 62 63 1 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 22 1 0 0 0 0 66 67 2 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 2 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 2 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 2 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 23 1 0 0 0 0 87 88 2 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 2 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 2 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 2 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 2 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 108 13 1 0 0 0 0 108109 2 0 0 0 0 M END > BMDB0010253 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\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/C87H142O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-39,43-46,48-50,81-83,88H,5-8,12,16-20,29-32,40-42,47,51-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,43-36-,48-44-,49-45-,50-46-/t81-,82+,83+/m0/s1 > OWQJOQOHTKOXGF-CHQWNPPXSA-N > C87H142O17P2 > 1521.9957 > 1520.972226142 > 9 > 175.6207876464149 > 0 > 3 > 0 > 0 > [(2R)-2,3-bis[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy][2-hydroxy-3-({hydroxy[(2R)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid > 8.83 > 24.870175177999997 > -7.20 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 450.14809999999966 > 78 > 0 > 9.71e-05 g/l > (2R)-2,3-bis[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy(2-hydroxy-3-{[hydroxy(2R)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphoryl]oxy}propoxy)phosphinic acid > 0 > BMDB0010253 > CL(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) $$$$