Mrv0541 02241200392D 105104 0 0 1 0 999 V2000 31.7211 -10.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1393 -9.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6667 -8.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1937 -11.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0849 -8.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9662 -9.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3049 -9.5708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.4008 -6.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4397 -7.3016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.4784 -6.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3619 -7.3016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5172 -7.3016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6337 -8.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2205 -8.1602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.5883 -6.8960 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 32.7168 -7.2176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.5883 -5.5998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6820 -11.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7208 -11.8538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.7596 -11.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6431 -11.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7984 -11.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8868 -12.6981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4737 -12.7404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.8695 -11.3804 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 29.8695 -10.5554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4500 -12.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9378 -11.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6523 -11.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3667 -11.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0812 -11.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7957 -11.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5102 -11.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2247 -11.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9391 -11.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6536 -11.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3681 -11.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0825 -11.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7970 -11.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5115 -11.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2260 -11.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9405 -11.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6550 -11.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3694 -11.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0839 -11.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0839 -10.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2277 -7.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9421 -6.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6566 -7.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3711 -6.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0855 -7.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8000 -6.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5145 -6.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2290 -7.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9435 -6.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6579 -6.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3724 -7.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0869 -6.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8014 -7.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5158 -6.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2304 -7.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9448 -6.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6593 -7.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3738 -6.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0882 -7.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8027 -6.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8027 -6.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7731 -8.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4876 -8.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2020 -8.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9165 -8.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6310 -8.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3455 -8.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0600 -8.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7744 -8.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4889 -8.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2034 -8.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9178 -8.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6323 -8.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3468 -8.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0613 -8.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7758 -8.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4902 -8.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2047 -8.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9192 -8.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9192 -9.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0262 -13.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7407 -12.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4552 -13.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1697 -12.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8841 -13.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5987 -12.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3131 -13.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0276 -13.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7421 -12.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4565 -13.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1710 -12.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8855 -13.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6000 -12.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3145 -13.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0289 -12.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7434 -13.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4579 -12.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1723 -13.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1723 -13.9356 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 22 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 2 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 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 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 12 1 0 0 0 0 66 67 2 0 0 0 0 69 68 1 0 0 0 0 70 69 1 0 0 0 0 71 70 1 0 0 0 0 72 71 1 0 0 0 0 73 72 1 0 0 0 0 74 73 2 0 0 0 0 75 74 1 0 0 0 0 76 75 1 0 0 0 0 77 76 2 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 1 0 0 0 0 83 82 1 0 0 0 0 84 83 1 0 0 0 0 85 84 1 0 0 0 0 86 85 2 0 0 0 0 13 85 1 0 0 0 0 88 87 1 0 0 0 0 89 88 1 0 0 0 0 90 89 1 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 2 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 1 0 0 0 0 102101 1 0 0 0 0 103102 1 0 0 0 0 104103 1 0 0 0 0 105104 2 0 0 0 0 23104 1 0 0 0 0 M END > BMDB0010260 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C83H148O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21-22,24-28,31,33-34,36-37,39,41,77-79,84H,5-20,23,29-30,32,35,38,40,42-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,28-24-,31-27-,37-33-,39-34-,41-36-/t77-,78-,79-/m1/s1 > QSHDOHMGNDDGRW-WQNGBFIISA-N > C83H148O17P2 > 1480.0005 > 1479.019176334 > 9 > 176.31073191400338 > 0 > 3 > 0 > 0 > [2-hydroxy-3-({hydroxy[(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)propoxy][(2R)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid > 9.27 > 25.62535211466666 > -7.30 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 423.9278999999999 > 81 > 0 > 7.49e-05 g/l > 2-hydroxy-3-{[hydroxy(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphoryl]oxy}propoxy(2R)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphinic acid > 0 > BMDB0010260 > CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)) $$$$