Mrv1572004261617002D 113112 0 0 1 0 999 V2000 28.9253 -10.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3163 -16.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5309 -4.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9843 -4.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4221 -9.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -16.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0342 -5.3282 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 28.7366 -8.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 -17.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8520 -5.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3053 -4.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2334 -8.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4550 -17.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3552 -5.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8085 -5.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5479 -7.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9583 -17.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1730 -5.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6263 -5.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0447 -6.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -18.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6762 -6.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1295 -6.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3592 -6.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1470 -19.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4940 -6.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9473 -5.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8560 -5.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9648 -19.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9972 -6.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4506 -6.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0382 -5.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4680 -19.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8150 -6.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5349 -4.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2858 -19.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3183 -7.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2683 -6.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7172 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6003 -18.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0037 -8.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4026 -5.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4181 -18.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7716 -7.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5070 -8.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5849 -5.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7326 -18.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5893 -7.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1924 -9.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2703 -6.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5504 -17.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0926 -7.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6957 -10.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4526 -6.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8649 -17.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9104 -7.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3812 -11.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1380 -7.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6827 -17.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4136 -8.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8844 -11.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3203 -7.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9972 -16.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2314 -8.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5699 -12.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4765 -11.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3442 -12.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8734 -9.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9473 -15.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7411 -10.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0796 -14.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1620 -12.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0557 -9.3595 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2618 -14.5894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0057 -8.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8150 -16.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7346 -8.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0731 -13.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6652 -13.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5090 -9.0327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3183 -16.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4201 -9.5774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8909 -13.0640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8461 -10.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3715 -11.3084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1030 -12.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3209 -14.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1880 -8.4879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1295 -15.4611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2943 -11.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0297 -13.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9233 -10.2312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3941 -13.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5524 -8.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7586 -13.9357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6088 -10.9939 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.2119 -13.6088 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.2269 -6.9625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8260 -18.7297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3617 -7.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.1770 -5.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8325 -20.0372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3118 -6.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7237 -6.3088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1535 -20.5820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6328 -6.7446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.8495 -4.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7890 -20.3641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0809 -7.8218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6587 -11.9745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5589 -10.0133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7651 -15.2431 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 2 0 0 0 0 26 22 2 0 0 0 0 27 23 2 0 0 0 0 28 24 1 0 0 0 0 29 25 1 0 0 0 0 30 26 1 0 0 0 0 31 27 1 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 2 0 0 0 0 37 34 2 0 0 0 0 38 35 2 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 21 1 0 0 0 0 100 22 1 0 0 0 0 101 23 1 0 0 0 0 102 25 1 0 0 0 0 103 26 1 0 0 0 0 104 27 1 0 0 0 0 105 33 1 0 0 0 0 106 34 1 0 0 0 0 107 35 1 0 0 0 0 108 36 1 0 0 0 0 109 37 1 0 0 0 0 110 38 1 0 0 0 0 111 73 1 0 0 0 0 74112 1 1 0 0 0 75113 1 6 0 0 0 M END > CHEM039522 > chemdb > [H]\C(CCCCC)=C(\[H])C\C([H])=C(/[H])CCCCCCCC(=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)CCCCCCC\C([H])=C(\[H])CC([H])=C([H])CCCCC)OC(=O)CCCCCCCCCCCCCCC > InChI=1S/C79H142O17P2/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/h21-23,25-27,33-38,73-75,80H,5-20,24,28-32,39-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21+,26-22-,27-23+,36-33+,37-34-,38-35-/t73?,74-,75-/m1/s1 > PPNASYWUDWBRIL-OBOCLVDPSA-N > C79H142O17P2 > 1425.936 > 1424.972227108 > 9 > 240 > 168.9237681045203 > 0 > 3 > 0 > 0 > [3-({[(2R)-2-(hexadecanoyloxy)-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(9Z,12E)-octadeca-9,12-dienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid > 9.19 > 24.208999111333327 > -7.31 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.9499999999999 > 404.4072999999997 > 78 > 0 > 7.02e-05 g/l > 3-{[(2R)-2-(hexadecanoyloxy)-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(9Z,12E)-octadeca-9,12-dienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy)phosphinic acid > 0 > CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:0) $$$$