Mrv1652303252017092D 133132 0 0 1 0 999 V2000 21.5782 -3.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9031 -3.5904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2279 -3.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2534 -3.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5528 -3.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3763 -4.3700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9284 -3.2007 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.5387 -2.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3182 -3.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6036 -2.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2787 -3.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9538 -2.8109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.6289 -3.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4908 -4.3997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.2667 -2.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5301 -2.1259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3418 -2.1259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6921 -3.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4066 -3.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1211 -3.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8356 -3.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5501 -3.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2646 -3.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9790 -3.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6935 -3.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4080 -3.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1225 -3.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8369 -3.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5514 -3.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2660 -3.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9805 -3.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6949 -3.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4094 -3.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1239 -3.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8383 -3.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8383 -2.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9447 -4.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6592 -4.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3736 -4.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0881 -4.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8026 -4.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5170 -4.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2315 -4.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9460 -4.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6604 -4.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3750 -4.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0894 -4.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8039 -4.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5184 -4.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2328 -4.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9473 -4.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6618 -4.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6618 -5.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0068 -3.1387 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.7469 -3.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3715 -2.3987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6422 -3.8788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2231 -2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9641 -2.4095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6334 -2.4078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9424 -2.3040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0416 -4.7258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0212 -4.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7016 -4.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.2867 -4.0060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.0662 -3.9131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5384 -1.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8322 -2.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 -2.7644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9696 -3.7105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7151 -4.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3802 -4.4155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5691 -2.3544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4106 -2.2937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1426 -4.3947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3913 -4.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0902 -2.2836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8063 -2.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8761 -4.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8793 -4.2479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8700 -2.1592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7688 -2.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1691 -4.5145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7723 -4.4179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8456 -2.2447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4904 -2.2454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6176 -4.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2333 -4.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2132 -2.2313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9229 -2.2468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0610 -4.4785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6662 -4.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6623 -2.2225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3766 -2.2514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5071 -4.4648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1061 -4.4688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1085 -2.2160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7631 -2.2764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0061 -4.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5447 -4.5164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3031 -3.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1722 -3.7620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5479 -5.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2581 -5.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9765 -5.7525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7765 -3.6859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7398 -3.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6804 -5.7374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4192 -5.7190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2544 -3.6713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7878 -3.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1275 -5.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8314 -5.7346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7849 -3.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3932 -3.5329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5565 -5.7058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2706 -5.7359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2575 -3.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8647 -3.4846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0078 -5.7146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7217 -5.7338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6908 -3.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3012 -3.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4630 -5.7187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1912 -5.7219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1285 -3.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7672 -3.5072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9291 -5.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6074 -5.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6126 -3.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1503 -3.6444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.2229 -2.2477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2712 -4.5235 0.0000 H 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 6 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 2 14 1 1 0 0 0 13 15 1 0 0 0 0 12 16 1 6 0 0 0 12 17 1 1 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 2 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 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 1 0 0 0 0 35 34 1 0 0 0 0 36 35 2 0 0 0 0 5 35 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 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 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 6 1 0 0 0 0 52 53 2 0 0 0 0 55 54 2 0 0 0 0 56 54 1 0 0 0 0 57 54 1 0 0 0 0 15 54 1 0 0 0 0 1 58 1 0 0 0 0 1 59 1 0 0 0 0 3 60 1 0 0 0 0 3 61 1 0 0 0 0 9 62 1 0 0 0 0 11 63 1 0 0 0 0 11 64 1 0 0 0 0 13 65 1 0 0 0 0 13 66 1 0 0 0 0 17 67 1 0 0 0 0 18 68 1 0 0 0 0 18 69 1 0 0 0 0 18 70 1 0 0 0 0 19 71 1 0 0 0 0 19 72 1 0 0 0 0 20 73 1 0 0 0 0 20 74 1 0 0 0 0 21 75 1 0 0 0 0 21 76 1 0 0 0 0 22 77 1 0 0 0 0 22 78 1 0 0 0 0 23 79 1 0 0 0 0 23 80 1 0 0 0 0 24 81 1 0 0 0 0 25 82 1 0 0 0 0 26 83 1 0 0 0 0 26 84 1 0 0 0 0 27 85 1 0 0 0 0 27 86 1 0 0 0 0 28 87 1 0 0 0 0 28 88 1 0 0 0 0 29 89 1 0 0 0 0 29 90 1 0 0 0 0 30 91 1 0 0 0 0 30 92 1 0 0 0 0 31 93 1 0 0 0 0 31 94 1 0 0 0 0 32 95 1 0 0 0 0 32 96 1 0 0 0 0 33 97 1 0 0 0 0 33 98 1 0 0 0 0 34 99 1 0 0 0 0 34100 1 0 0 0 0 37101 1 0 0 0 0 37102 1 0 0 0 0 37103 1 0 0 0 0 38104 1 0 0 0 0 38105 1 0 0 0 0 39106 1 0 0 0 0 39107 1 0 0 0 0 40108 1 0 0 0 0 40109 1 0 0 0 0 41110 1 0 0 0 0 41111 1 0 0 0 0 42112 1 0 0 0 0 42113 1 0 0 0 0 43114 1 0 0 0 0 43115 1 0 0 0 0 44116 1 0 0 0 0 44117 1 0 0 0 0 45118 1 0 0 0 0 45119 1 0 0 0 0 46120 1 0 0 0 0 46121 1 0 0 0 0 47122 1 0 0 0 0 47123 1 0 0 0 0 48124 1 0 0 0 0 48125 1 0 0 0 0 49126 1 0 0 0 0 49127 1 0 0 0 0 50128 1 0 0 0 0 50129 1 0 0 0 0 51130 1 0 0 0 0 51131 1 0 0 0 0 56132 1 0 0 0 0 57133 1 0 0 0 0 M END > BMDB0096752 > bmdb > [H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] > InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,37-38,41H,3-12,14,16-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b15-13-/t37-,38+/m0/s1 > YVCWXDYDUQYXEO-GPJPVTGXSA-N > C40H78O13P2 > 828.987 > 828.491765606 > 8 > 133 > 94.47586211782709 > 0 > 4 > 0 > 0 > [(2S)-3-({[(2R)-2-(hexadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid > 7.11 > 11.340701161333332 > -6.07 > 0 > 0 > -3 > 2.0402061436989327 > 1.354879296415124 > -3.410499386302644 > 195.35 > 216.50040000000007 > 43 > 0 > 7.08e-04 g/l > (2S)-3-{[(2R)-2-(hexadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxyphosphonic acid > 0 > BMDB0096752 > PGP(18:1(11Z)/16:0) $$$$