Mrv0541 02241200342D 101100 0 0 1 0 999 V2000 29.4558 -10.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8740 -10.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4014 -9.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9284 -11.9517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8196 -8.1085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7009 -9.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0395 -9.6687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1354 -6.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1743 -7.3994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.2130 -6.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0966 -7.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2518 -7.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3682 -8.2158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9551 -8.2581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3229 -6.9939 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 30.4515 -7.3155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3229 -5.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4166 -11.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4555 -11.9517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4942 -11.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3778 -11.9517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5330 -11.9517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6215 -12.7960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2083 -12.8383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.6041 -11.4783 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.6041 -10.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1846 -12.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3912 -7.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1057 -6.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8202 -7.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5346 -6.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2491 -7.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9636 -6.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6781 -6.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3926 -7.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1071 -6.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8215 -6.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5360 -7.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2505 -6.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9650 -7.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6795 -6.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3939 -7.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1084 -6.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8229 -7.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5373 -6.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5373 -6.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5077 -8.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2221 -8.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9366 -8.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6511 -8.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3655 -8.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0801 -8.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7945 -8.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5090 -8.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2235 -8.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9380 -8.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6524 -8.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3669 -8.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0814 -8.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7959 -8.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5104 -8.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2248 -8.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9393 -8.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6538 -8.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6538 -9.4533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1899 -12.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9044 -13.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6189 -12.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3334 -13.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0478 -12.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7623 -13.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4768 -12.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1912 -13.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9057 -12.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6202 -13.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3346 -12.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0491 -13.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7636 -12.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4780 -13.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1925 -12.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9070 -13.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9070 -14.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6724 -11.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3869 -11.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1014 -11.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8158 -11.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5303 -11.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2448 -11.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9593 -11.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6738 -11.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3882 -11.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1027 -11.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8172 -11.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5317 -11.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2462 -11.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9607 -11.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6751 -11.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3896 -11.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1041 -11.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8185 -11.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8185 -10.7142 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 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 2 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 2 0 0 0 0 38 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 2 0 0 0 0 12 45 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 53 52 1 0 0 0 0 54 53 1 0 0 0 0 55 54 1 0 0 0 0 56 55 2 0 0 0 0 57 56 1 0 0 0 0 58 57 1 0 0 0 0 59 58 1 0 0 0 0 60 59 1 0 0 0 0 61 60 1 0 0 0 0 62 61 1 0 0 0 0 63 62 1 0 0 0 0 64 63 1 0 0 0 0 65 64 2 0 0 0 0 13 64 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 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 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 23 1 0 0 0 0 81 82 2 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 1 0 0 0 0 89 88 1 0 0 0 0 90 89 2 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 1 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 2 0 0 0 0 22100 1 0 0 0 0 M END > BMDB0010232 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC > 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/h22,25-26,29,34-35,37-38,73-75,80H,5-21,23-24,27-28,30-33,36,39-72H2,1-4H3,(H,85,86)(H,87,88)/b26-22-,29-25-,37-34-,38-35-/t73-,74-,75-/m1/s1 > FUJOPANTNQXJIV-CQEMJCAMSA-N > C79H146O17P2 > 1429.9419 > 1429.00352627 > 9 > 173.14907605495432 > 0 > 3 > 0 > 0 > [3-({[(2R)-2-(hexadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(9Z)-octadec-9-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid > 9.07 > 24.932842424666664 > -7.30 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 402.1741 > 80 > 0 > 7.25e-05 g/l > 3-{[(2R)-2-(hexadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-2-[(9Z)-octadec-9-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphinic acid > 0 > BMDB0010232 > CL(18:2(9Z,12Z)/18:1(9Z)/18:1(11Z)/16:0) $$$$