Mrv0541 02241200382D 105104 0 0 1 0 999 V2000 27.2185 -11.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6367 -10.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1641 -9.6549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6911 -12.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5823 -8.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4636 -10.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8023 -10.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8982 -7.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9371 -8.0008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9758 -7.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8593 -8.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0145 -8.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1310 -8.8171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7179 -8.8594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.0857 -7.5952 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.2141 -7.9168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0857 -6.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1794 -11.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2182 -12.5530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2570 -11.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1405 -12.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2957 -12.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3842 -13.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9711 -13.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3669 -12.0797 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 25.3669 -11.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9474 -13.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2705 -8.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9849 -9.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6994 -8.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4139 -9.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1283 -8.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8429 -9.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5573 -9.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2718 -8.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9863 -9.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7008 -9.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4152 -8.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1297 -9.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8442 -8.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5587 -9.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2732 -8.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9876 -9.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7021 -8.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4166 -9.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4166 -10.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -7.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4395 -8.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1540 -7.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8685 -8.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5829 -7.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2974 -8.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0119 -7.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7264 -8.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4409 -7.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1553 -7.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8698 -8.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5843 -7.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2987 -8.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0132 -7.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7277 -8.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4422 -7.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1567 -8.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8711 -7.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5856 -8.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3001 -7.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3001 -6.7633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4352 -12.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1496 -12.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8641 -12.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5786 -12.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2931 -12.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0076 -12.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7221 -12.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4365 -12.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1510 -12.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8655 -12.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5799 -12.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2944 -12.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0089 -12.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7234 -12.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4379 -12.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1523 -12.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8668 -12.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5813 -12.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5813 -11.3155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5236 -13.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2381 -13.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9526 -13.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6670 -13.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3815 -13.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0960 -13.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8105 -13.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5250 -13.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2394 -13.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9539 -13.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6684 -13.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3828 -13.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0974 -13.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8118 -13.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5263 -13.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2408 -13.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9553 -13.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6697 -13.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6697 -14.6348 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 13 45 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 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 1 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 12 1 0 0 0 0 66 67 2 0 0 0 0 69 68 1 0 0 0 0 70 69 1 0 0 0 0 71 70 1 0 0 0 0 72 71 1 0 0 0 0 73 72 1 0 0 0 0 74 73 1 0 0 0 0 75 74 2 0 0 0 0 76 75 1 0 0 0 0 77 76 1 0 0 0 0 78 77 1 0 0 0 0 79 78 1 0 0 0 0 80 79 1 0 0 0 0 81 80 1 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 2 0 0 0 0 22 85 1 0 0 0 0 88 87 1 0 0 0 0 89 88 1 0 0 0 0 90 89 1 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 2 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 1 0 0 0 0 102101 1 0 0 0 0 103102 1 0 0 0 0 104103 1 0 0 0 0 105104 2 0 0 0 0 23104 1 0 0 0 0 M END > BMDB0010255 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C83H152O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h24,26,28,30,33,35-37,40-41,77-79,84H,5-23,25,27,29,31-32,34,38-39,42-76H2,1-4H3,(H,89,90)(H,91,92)/b28-24-,30-26-,37-33-,40-35-,41-36-/t77-,78-,79-/m1/s1 > UJNOBFXXRICQCY-OEKNKJGFSA-N > C83H152O17P2 > 1484.0323 > 1483.050476462 > 9 > 178.15174134278521 > 0 > 3 > 0 > 0 > [2-hydroxy-3-({hydroxy[(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy]phosphoryl}oxy)propoxy][(2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid > 9.16 > 26.349195428 > -7.28 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 421.69469999999995 > 83 > 0 > 7.83e-05 g/l > 2-hydroxy-3-{[hydroxy(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxyphosphoryl]oxy}propoxy(2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphinic acid > 0 > BMDB0010255 > CL(20:1(11Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(9Z)) $$$$