Mrv0541 02241200482D 109108 0 0 1 0 999 V2000 26.9109 -13.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3290 -12.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8565 -11.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3835 -14.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2746 -10.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1560 -12.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4946 -12.3814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5905 -9.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6293 -10.1122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6681 -9.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5517 -10.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7069 -10.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8233 -10.9286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4102 -10.9709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7780 -9.7067 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.9066 -10.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7780 -8.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8717 -14.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9105 -14.6645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9493 -14.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8329 -14.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9881 -14.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0765 -15.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6634 -15.5511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0592 -14.1911 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 25.0592 -13.3661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6397 -15.2476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9884 -10.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7028 -9.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4173 -10.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1318 -10.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8463 -9.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5608 -10.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 -10.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9897 -9.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7042 -10.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4187 -10.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1331 -9.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8477 -10.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5621 -10.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2766 -9.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9911 -10.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7055 -10.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4200 -9.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1345 -10.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8490 -10.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5635 -9.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2779 -10.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9924 -9.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9924 -8.8747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1275 -14.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8420 -14.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5564 -14.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2709 -14.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9854 -14.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6999 -14.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4144 -14.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1288 -14.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8433 -14.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5578 -14.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2723 -14.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9867 -14.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7013 -14.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4157 -14.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1302 -14.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8447 -14.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5591 -14.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2736 -14.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2736 -13.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5338 -11.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2483 -10.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9627 -11.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6772 -10.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3917 -11.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1061 -10.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8206 -10.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5351 -11.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2496 -10.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9641 -10.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6786 -11.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3930 -10.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1075 -10.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8220 -11.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5365 -10.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2510 -11.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9654 -10.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6799 -11.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3944 -10.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1088 -11.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1088 -12.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2160 -15.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9304 -15.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6449 -15.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3594 -15.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0738 -15.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7884 -15.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5028 -15.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2173 -15.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9318 -15.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6462 -15.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3607 -15.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0752 -15.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7897 -15.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5042 -15.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2186 -15.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9331 -15.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6476 -15.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3621 -15.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3621 -16.7463 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 52 51 1 0 0 0 0 53 52 1 0 0 0 0 54 53 1 0 0 0 0 55 54 1 0 0 0 0 56 55 1 0 0 0 0 57 56 2 0 0 0 0 58 57 1 0 0 0 0 59 58 1 0 0 0 0 60 59 2 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 1 0 0 0 0 68 67 1 0 0 0 0 69 68 2 0 0 0 0 22 68 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 2 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 2 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 2 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 88 1 0 0 0 0 88 89 1 0 0 0 0 89 13 1 0 0 0 0 89 90 2 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 2 0 0 0 0 99 98 1 0 0 0 0 100 99 1 0 0 0 0 101100 1 0 0 0 0 102101 1 0 0 0 0 103102 1 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 23108 1 0 0 0 0 M END > BMDB0010305 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)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/CCCCC > InChI=1S/C87H146O17P2/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/h9,13,21-23,25-28,32-35,37-38,40,42-43,46,48,50,52,60,64,81-83,88H,5-8,10-12,14-20,24,29-31,36,39,41,44-45,47,49,51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,42-40-,43-35-,50-46-,52-48-,64-60-/t81-,82-,83-/m1/s1 > TZVVYESWDWZTNA-TUTPPXSQSA-N > C87H146O17P2 > 1526.0275 > 1525.00352627 > 9 > 176.20777277359258 > 0 > 3 > 0 > 0 > [(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy][2-hydroxy-3-({hydroxy[(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid > 9.21 > 25.594018491333337 > -7.27 > 0 > 0 > -2 > 2.1918043582151947 > 1.5897376143163378 > -3.4105029523385797 > 236.94999999999996 > 447.9148999999998 > 80 > 0 > 8.16e-05 g/l > (2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy(2-hydroxy-3-{[hydroxy(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphoryl]oxy}propoxy)phosphinic acid > 0 > BMDB0010305 > CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:1(11Z)) $$$$