Mrv0541 02241200362D 103102 0 0 1 0 999 V2000 30.9380 -15.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3562 -14.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8836 -13.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4106 -16.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3018 -12.3035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1831 -13.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5217 -13.8637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.6176 -11.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6565 -11.5945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.6953 -11.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5788 -11.5945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7340 -11.5945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8505 -12.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4373 -12.4531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.8052 -11.1889 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 31.9337 -11.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8052 -9.8926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8988 -15.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9377 -16.1467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.9764 -15.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8600 -16.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0152 -16.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1037 -16.9910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6905 -17.0333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.0863 -15.6733 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 29.0863 -14.8483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6668 -16.7298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8735 -11.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5879 -11.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3024 -11.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0169 -11.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7313 -11.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4459 -11.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1603 -11.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8748 -11.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5893 -11.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3037 -11.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0182 -11.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7327 -11.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4472 -11.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1617 -11.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8762 -11.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5906 -11.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3051 -11.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0196 -11.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0196 -10.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1547 -16.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8691 -15.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5836 -16.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2981 -15.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0125 -16.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7271 -15.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4415 -15.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1560 -16.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8705 -15.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5849 -15.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2994 -16.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0139 -15.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7284 -16.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4429 -15.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1573 -16.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8718 -15.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5863 -16.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3008 -15.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3008 -14.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9899 -12.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7044 -12.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4188 -12.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1333 -12.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8478 -12.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5623 -12.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2768 -12.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9912 -12.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7057 -12.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4202 -12.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1346 -12.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8491 -12.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5636 -12.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2781 -12.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9926 -12.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7070 -12.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4215 -12.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1360 -12.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1360 -13.6483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2431 -17.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9576 -16.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6720 -17.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3865 -16.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1010 -17.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8155 -16.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5300 -17.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2445 -17.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9589 -16.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6734 -17.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3879 -16.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1023 -17.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8169 -16.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5313 -17.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2458 -16.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9603 -17.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6747 -16.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3892 -17.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3892 -18.2285 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 2 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 22 64 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 1 0 0 0 0 72 71 2 0 0 0 0 73 72 1 0 0 0 0 74 73 1 0 0 0 0 75 74 2 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 1 0 0 0 0 83 82 1 0 0 0 0 84 83 2 0 0 0 0 13 83 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 1 0 0 0 0 91 90 1 0 0 0 0 92 91 2 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 1 0 0 0 0 102101 1 0 0 0 0 103102 2 0 0 0 0 23102 1 0 0 0 0 M END > BMDB0010246 > 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)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C81H144O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21-23,25-28,32-35,37-39,75-77,82H,5-20,24,29-31,36,40-74H2,1-4H3,(H,87,88)(H,89,90)/b25-21-,26-22-,27-23-,32-28-,37-33-,38-34-,39-35-/t75-,76+,77+/m0/s1 > YIWPJZWENWWTFX-WTSMVRDASA-N > C81H144O17P2 > 1451.9474 > 1450.987876206 > 9 > 172.25547427354562 > 0 > 3 > 0 > 0 > [(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy][2-hydroxy-3-({hydroxy[(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid > 9.24 > 24.736214784666657 > -7.29 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 414.7258999999999 > 79 > 0 > 7.42e-05 g/l > (2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(2-hydroxy-3-{[hydroxy(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphoryl]oxy}propoxy)phosphinic acid > 0 > BMDB0010246 > CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)) $$$$