Mrv0541 02241200332D 101100 0 0 1 0 999 V2000 26.6592 -11.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0774 -10.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6048 -9.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1318 -12.2453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0230 -8.4021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9043 -10.0389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2429 -9.9623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3388 -7.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3777 -7.6931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4164 -7.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3000 -7.6931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4552 -7.6931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5716 -8.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1585 -8.5517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5263 -7.2875 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.6549 -7.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5263 -5.9913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6200 -11.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6589 -12.2453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6976 -11.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5812 -12.2453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7364 -12.2453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8249 -13.0896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4117 -13.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8075 -11.7720 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 24.8075 -10.9470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3880 -12.8285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5947 -7.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3091 -7.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0236 -7.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7381 -7.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4525 -7.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1671 -7.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8815 -7.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5960 -7.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3105 -7.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0249 -7.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7394 -7.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4539 -7.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1684 -7.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8829 -7.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5973 -7.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3118 -7.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0263 -7.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7407 -7.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7407 -6.4556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3934 -13.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1078 -13.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8223 -13.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5368 -13.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2512 -13.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9657 -13.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6802 -13.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3946 -13.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1091 -13.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8236 -13.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5380 -13.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2525 -13.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9670 -13.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6815 -13.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3959 -13.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1104 -13.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1104 -14.3272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7111 -8.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4256 -8.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1400 -8.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8545 -8.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5690 -8.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2835 -8.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9980 -8.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7124 -8.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4269 -8.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1414 -8.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8558 -8.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5703 -8.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2848 -8.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9993 -8.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7138 -8.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4282 -8.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1427 -8.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8572 -8.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8572 -9.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8758 -11.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5903 -12.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3048 -11.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0193 -12.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7337 -11.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4483 -12.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1627 -11.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8772 -11.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5917 -12.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3061 -11.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0206 -12.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7351 -11.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4496 -12.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1641 -11.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8785 -12.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5930 -11.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3075 -12.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0219 -11.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0219 -11.0078 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 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 53 1 0 0 0 0 53 54 1 0 0 0 0 54 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 1 0 0 0 0 61 62 1 0 0 0 0 62 23 1 0 0 0 0 62 63 2 0 0 0 0 65 64 1 0 0 0 0 66 65 1 0 0 0 0 67 66 1 0 0 0 0 68 67 1 0 0 0 0 69 68 1 0 0 0 0 70 69 1 0 0 0 0 71 70 2 0 0 0 0 72 71 1 0 0 0 0 73 72 1 0 0 0 0 74 73 1 0 0 0 0 75 74 1 0 0 0 0 76 75 1 0 0 0 0 77 76 1 0 0 0 0 78 77 1 0 0 0 0 79 78 1 0 0 0 0 80 79 1 0 0 0 0 81 80 1 0 0 0 0 82 81 2 0 0 0 0 13 81 1 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 > BMDB0010228 > 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)CCCCCCCCC\C=C/CCCCCC > 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-MCQJNXSNSA-N > C79H146O17P2 > 1429.9419 > 1429.00352627 > 9 > 172.51642744816758 > 0 > 3 > 0 > 0 > [3-({[(2R)-2-(hexadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(11Z)-octadec-11-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 > 402.17409999999995 > 80 > 0 > 7.25e-05 g/l > 3-{[(2R)-2-(hexadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphinic acid > 0 > BMDB0010228 > CL(18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)/16:0) $$$$