Mrv0541 02241200442D 107106 0 0 1 0 999 V2000 27.7359 -10.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1541 -9.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6815 -8.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2085 -11.7280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0997 -7.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9810 -9.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3197 -9.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4156 -6.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4544 -7.1758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4931 -6.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3767 -7.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5319 -7.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6484 -7.9921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2352 -8.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.6031 -6.7702 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.7315 -7.0918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6031 -5.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6967 -11.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7355 -11.7280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7743 -11.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6579 -11.7280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8131 -11.7280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9015 -12.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4884 -12.6146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8843 -11.2547 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 25.8843 -10.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4647 -12.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2424 -7.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9569 -6.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6713 -7.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3858 -7.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1003 -6.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8147 -7.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5292 -7.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2438 -6.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9582 -7.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6727 -7.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3871 -6.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1016 -7.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8161 -7.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5305 -6.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2451 -7.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9596 -6.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6740 -7.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3885 -6.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1029 -7.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8174 -6.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8174 -5.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3589 -7.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0733 -8.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7878 -7.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5023 -7.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2167 -8.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9312 -7.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6457 -7.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3602 -8.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0747 -7.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7892 -7.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5036 -8.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2181 -7.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9326 -7.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6470 -8.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3616 -7.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0760 -8.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7905 -7.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5050 -8.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2194 -7.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9339 -8.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9339 -9.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0410 -12.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7554 -12.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4699 -12.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1844 -12.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8988 -12.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6134 -12.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -12.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0423 -12.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7568 -12.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4712 -12.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1857 -12.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9002 -12.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6147 -12.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3292 -12.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0437 -12.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7581 -12.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4726 -12.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1871 -12.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1871 -13.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9525 -11.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6670 -11.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3815 -11.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0959 -11.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8104 -11.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5249 -11.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2394 -11.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9539 -11.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6683 -11.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3828 -11.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0973 -11.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8117 -11.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5263 -11.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2407 -11.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9552 -11.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6697 -11.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3841 -11.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0986 -11.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0986 -10.4905 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 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 2 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 67 1 0 0 0 0 67 68 1 0 0 0 0 68 13 1 0 0 0 0 68 69 2 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 1 0 0 0 0 76 75 1 0 0 0 0 77 76 2 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 1 0 0 0 0 87 86 1 0 0 0 0 88 87 2 0 0 0 0 23 87 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 1 0 0 0 0 106105 1 0 0 0 0 107106 2 0 0 0 0 22106 1 0 0 0 0 M END > BMDB0010284 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\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/C\C=C/CC > InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-22,25-28,31-34,37-38,43-44,46,48,79-81,86H,5-8,11-12,15-20,23-24,29-30,35-36,39-42,45,47,49-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,14-10-,25-21-,26-22-,31-27-,32-28-,37-33-,38-34-,46-43-,48-44-/t79-,80-,81-/m1/s1 > QLESSANZJOCNAL-ZPNOUPOQSA-N > C85H146O17P2 > 1502.0061 > 1501.00352627 > 9 > 176.99937022039072 > 0 > 3 > 0 > 0 > [3-({[(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2,3-bis[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy]phosphinic acid > 9.22 > 25.428724474666666 > -7.27 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 436.4796999999999 > 80 > 0 > 8.13e-05 g/l > 3-{[(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-2,3-bis[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxyphosphinic acid > 0 > BMDB0010284 > CL(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/18:1(11Z)) $$$$