Mrv0541 02251200182D 100 99 0 0 1 0 999 V2000 3.1322 12.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4949 14.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0752 14.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8576 15.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4379 16.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2203 17.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8007 17.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5830 18.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1634 19.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9457 19.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5261 20.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3085 21.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8888 21.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6712 22.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2515 23.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0495 23.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0339 24.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6142 24.6321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3966 25.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5986 25.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 26.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9613 27.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5830 26.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3654 27.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5674 27.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3498 28.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5518 28.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3342 29.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5362 29.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3186 30.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8989 31.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6813 31.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2616 32.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 33.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6243 33.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 34.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9871 35.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7694 35.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3498 36.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4122 24.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6299 23.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4278 23.4175 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.2184 22.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6372 24.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2258 23.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4434 22.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2414 22.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8218 22.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4590 21.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2570 21.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4747 20.4019 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.6789 20.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2704 20.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6923 19.6061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4903 19.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7079 18.6009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5059 18.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7235 17.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5215 17.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1018 17.9727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7391 16.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5371 16.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7547 15.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5527 15.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7703 14.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5683 14.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7859 13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5839 13.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8016 12.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5995 12.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1799 12.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9779 12.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5582 13.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3562 13.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9365 13.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7345 13.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3149 14.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1276 18.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3296 18.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1119 19.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7492 17.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9512 17.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3709 17.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5729 17.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9926 16.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1946 17.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6142 16.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8163 16.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2359 16.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4535 15.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8732 14.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0908 13.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5105 13.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7281 12.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1478 11.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3654 11.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 10.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6868 23.7606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4555 19.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 18 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 31 30 1 4 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 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 19 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 43 45 2 0 0 0 0 43 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 48 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 52 54 2 0 0 0 0 52 55 1 0 0 0 0 55 56 1 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 2 0 0 0 0 60 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 69 68 1 4 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 72 71 1 4 0 0 0 72 73 2 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 57 79 1 6 0 0 0 79 80 1 0 0 0 0 80 81 2 0 0 0 0 80 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 89 88 1 4 0 0 0 89 90 2 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 19 99 1 1 0 0 0 57100 1 6 0 0 0 M END > NP0338732 > NP-MRD > [H][C@@](COC(=O)CCCCCCCC=CCCCCCCCC)(COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC)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/h22,26,33-38,73-75,80H,5-21,23-25,27-32,39-72H2,1-4H3,(H,85,86)(H,87,88)/t73?,74-,75-/m1/s1 > ANTTZFFJZZAXFT-LAPMJKMRSA-N > C79H146O17P2 > 1429.9419 > 1429.00352627 > 9 > 172.83691621125888 > 0 > 3 > 0 > 0 > [3-({[(2R)-2-(hexadecanoyloxy)-3-(octadec-9-enoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-(octadec-9-enoyloxy)-3-(octadeca-9,12-dienoyloxy)propoxy]phosphinic acid > 9.08 > 24.932842424666664 > -7.30 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999993 > 402.1740999999998 > 80 > 0 > 7.25e-05 g/l > 3-{[(2R)-2-(hexadecanoyloxy)-3-(octadec-9-enoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-2-(octadec-9-enoyloxy)-3-(octadeca-9,12-dienoyloxy)propoxyphosphinic acid > 0 > NP0338732 > CL(18:2(9Z,12Z)/18:1(9Z)/18:1(9Z)/16:0) $$$$