Mrv1572004261616512D 109108 0 0 1 0 999 V2000 32.0395 -7.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1987 -25.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0209 -10.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0177 -4.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5697 -6.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7288 -24.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3733 -9.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7475 -6.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -23.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1955 -9.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3097 -4.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2776 -6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6114 -23.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5478 -8.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7795 -5.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4554 -6.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9638 -22.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3700 -8.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6017 -5.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9856 -5.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4939 -21.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7224 -7.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0716 -6.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1634 -5.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8463 -21.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5446 -7.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8938 -6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6935 -4.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3765 -20.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8970 -7.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3636 -6.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8713 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7288 -19.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7192 -6.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5190 -5.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5510 -19.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1890 -7.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1858 -6.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6967 -5.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9034 -18.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8367 -8.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3444 -6.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7256 -18.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6557 -7.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3065 -9.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5222 -6.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0780 -18.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4779 -7.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9541 -9.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1698 -7.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9002 -17.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9477 -8.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4240 -10.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3476 -7.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2526 -17.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7699 -7.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0716 -11.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9952 -8.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0748 -17.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2397 -8.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5414 -11.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1730 -8.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4272 -16.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0620 -8.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1890 -12.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1223 -12.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9477 -13.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6460 -9.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4240 -15.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4715 -10.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5985 -14.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7699 -13.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8238 -9.8839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7763 -14.7666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8206 -9.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2494 -16.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5318 -9.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6589 -13.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2397 -13.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2905 -9.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7192 -17.0045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1794 -10.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4811 -13.2747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5509 -11.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0428 -11.7961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7053 -13.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8409 -14.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9984 -9.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6017 -15.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9445 -12.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5953 -13.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6492 -10.6977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9509 -13.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3540 -9.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3065 -14.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2969 -11.4437 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.7731 -13.8850 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.6717 -21.8871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.8110 -6.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6685 -21.0055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0145 -8.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.0459 -4.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4272 -6.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 -18.9711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0209 -20.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3001 -12.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2937 -10.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2462 -15.4447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 10 1 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 15 1 0 0 0 0 20 16 1 0 0 0 0 21 17 1 0 0 0 0 22 18 1 0 0 0 0 23 19 1 0 0 0 0 24 20 1 0 0 0 0 25 21 1 0 0 0 0 26 22 2 0 0 0 0 27 23 1 0 0 0 0 28 24 1 0 0 0 0 29 25 2 0 0 0 0 30 26 1 0 0 0 0 31 27 2 0 0 0 0 32 28 1 0 0 0 0 33 29 1 0 0 0 0 34 30 1 0 0 0 0 35 31 1 0 0 0 0 36 33 1 0 0 0 0 37 34 2 0 0 0 0 38 35 1 0 0 0 0 39 32 1 0 0 0 0 40 36 1 0 0 0 0 41 37 1 0 0 0 0 42 38 1 0 0 0 0 43 40 1 0 0 0 0 44 41 1 0 0 0 0 45 39 1 0 0 0 0 46 42 1 0 0 0 0 47 43 1 0 0 0 0 48 44 1 0 0 0 0 49 45 1 0 0 0 0 50 46 1 0 0 0 0 51 47 1 0 0 0 0 52 48 1 0 0 0 0 53 49 1 0 0 0 0 54 50 1 0 0 0 0 55 51 1 0 0 0 0 56 52 1 0 0 0 0 57 53 1 0 0 0 0 58 54 1 0 0 0 0 59 55 1 0 0 0 0 60 56 1 0 0 0 0 61 57 1 0 0 0 0 62 58 1 0 0 0 0 63 59 1 0 0 0 0 64 60 1 0 0 0 0 65 61 1 0 0 0 0 66 62 1 0 0 0 0 73 67 1 0 0 0 0 73 68 1 0 0 0 0 74 69 1 0 0 0 0 74 71 1 0 0 0 0 75 70 1 0 0 0 0 75 72 1 0 0 0 0 76 63 1 0 0 0 0 77 64 1 0 0 0 0 78 65 1 0 0 0 0 79 66 1 0 0 0 0 80 73 1 0 0 0 0 81 76 2 0 0 0 0 82 77 2 0 0 0 0 83 78 2 0 0 0 0 84 79 2 0 0 0 0 89 69 1 0 0 0 0 89 76 1 0 0 0 0 90 70 1 0 0 0 0 90 77 1 0 0 0 0 91 67 1 0 0 0 0 92 68 1 0 0 0 0 93 71 1 0 0 0 0 94 72 1 0 0 0 0 74 95 1 1 0 0 0 95 78 1 0 0 0 0 75 96 1 6 0 0 0 96 79 1 0 0 0 0 97 85 1 0 0 0 0 97 86 2 0 0 0 0 97 91 1 0 0 0 0 97 93 1 0 0 0 0 98 87 1 0 0 0 0 98 88 2 0 0 0 0 98 92 1 0 0 0 0 98 94 1 0 0 0 0 99 22 1 0 0 0 0 100 25 1 0 0 0 0 101 26 1 0 0 0 0 102 27 1 0 0 0 0 103 29 1 0 0 0 0 104 31 1 0 0 0 0 105 34 1 0 0 0 0 106 37 1 0 0 0 0 107 73 1 0 0 0 0 74108 1 1 0 0 0 75109 1 6 0 0 0 M END > CHEM039507 > chemdb > [H]\C(CCCCCC)=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OCC([H])(O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)OC(=O)CCCCCCCCC\C([H])=C(/[H])CCCCCC)OC(=O)CCCCCCCCCCCCCCC > InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h22,25-27,29,31,34,37,73-75,80H,5-21,23-24,28,30,32-33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/b26-22+,29-25+,31-27+,37-34+/t73?,74-,75-/m1/s1 > LMDGUPJGMSPFQP-FAJFGTAMSA-N > C79H146O17P2 > 1429.968 > 1429.003527237 > 9 > 244 > 172.9622987934456 > 0 > 3 > 0 > 0 > [3-({[(2R)-2-(hexadecanoyloxy)-3-[(11E)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(11E)-octadec-11-enoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid > 9.07 > 24.932842424666664 > -7.30 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.9499999999999 > 402.17409999999967 > 80 > 0 > 7.25e-05 g/l > 3-{[(2R)-2-(hexadecanoyloxy)-3-[(11E)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(11E)-octadec-11-enoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy)phosphinic acid > 0 > CL(18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)/16:0) $$$$