Mrv0541 02241201162D 105104 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 7.7670 -4.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4814 -4.4001 0.0000 C 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 -4.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6249 -4.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3393 -4.8126 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 -4.8126 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 14.9117 -4.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6262 -4.8126 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 17.0551 -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 18.4842 -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 7.4771 -9.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1916 -8.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9060 -9.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6205 -8.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3350 -9.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0495 -8.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 -8.9523 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 -8.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6219 -9.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3363 -8.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0509 -9.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7653 -8.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4798 -9.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1943 -8.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9087 -9.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6232 -8.9524 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 9.9946 -10.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7091 -10.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4236 -10.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1380 -10.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8525 -10.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5670 -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 14.9960 -10.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7104 -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 17.1394 -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 -6.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5979 -5.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3123 -6.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0268 -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 14.5992 -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 22.4585 -6.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4585 -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 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 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 12 1 0 0 0 0 47 48 2 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 1 0 0 0 0 54 53 1 0 0 0 0 55 54 2 0 0 0 0 56 55 1 0 0 0 0 57 56 1 0 0 0 0 58 57 2 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 1 0 0 0 0 66 65 1 0 0 0 0 67 66 2 0 0 0 0 22 66 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 2 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 82 1 0 0 0 0 82 83 1 0 0 0 0 83 23 1 0 0 0 0 83 84 2 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 2 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 2 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 2 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 104 13 1 0 0 0 0 104105 2 0 0 0 0 M END > BMDB0010696 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)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/CCCCC > InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-28,32-37,40-42,45-46,77-79,84H,5-8,10-12,14-20,24,29-31,38-39,43-44,47-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,40-35-,45-41-,46-42-/t77-,78-,79-/m1/s1 > QUYNDBUZHKTFHR-SCLXOPDZSA-N > C83H142O17P2 > 1473.9529 > 1472.972226142 > 9 > 170.93202674393444 > 0 > 3 > 0 > 0 > [3-({[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy]phosphinic acid > 9.16 > 24.53958714466667 > -7.28 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 427.2776999999998 > 78 > 0 > 7.80e-05 g/l > 3-{[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxyphosphinic acid > 0 > BMDB0010696 > CL(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/16:1(9Z)) $$$$