Mrv0541 02241200442D 105104 0 0 1 0 999 V2000 28.7147 -10.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1329 -9.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6603 -8.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1873 -11.4064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0785 -7.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9598 -9.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2985 -9.1233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3944 -6.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4332 -6.8541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.4720 -6.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3555 -6.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5107 -6.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6272 -7.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2141 -7.7128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.5819 -6.4486 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 29.7104 -6.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5819 -5.1523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6755 -10.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7144 -11.4064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7531 -10.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6367 -11.4064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7919 -11.4064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8804 -12.2507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4672 -12.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.8631 -10.9330 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 26.8631 -10.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4435 -11.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2212 -6.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9357 -6.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6502 -6.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3646 -6.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0791 -6.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7936 -6.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5080 -6.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2226 -6.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9370 -6.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6515 -6.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3660 -6.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0804 -6.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7949 -6.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5094 -6.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2239 -6.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9384 -6.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6529 -6.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3673 -6.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0818 -6.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7963 -6.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7963 -5.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9314 -11.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6458 -10.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3603 -11.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0748 -10.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7892 -11.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5038 -10.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2183 -10.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9327 -11.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6472 -10.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3616 -10.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0761 -11.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7906 -10.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5051 -11.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2196 -10.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9340 -11.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6485 -10.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3630 -11.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0775 -10.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0775 -10.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4489 -12.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1633 -12.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8778 -12.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5923 -12.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3067 -12.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0212 -12.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7357 -12.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4502 -12.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1646 -12.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8791 -12.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5936 -12.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3080 -12.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0225 -12.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7370 -12.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4514 -12.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1659 -12.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1659 -13.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3377 -7.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0522 -8.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7667 -7.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4811 -8.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1956 -7.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9101 -8.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6245 -8.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3391 -7.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0535 -8.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7680 -8.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4825 -7.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1969 -8.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9114 -8.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6259 -7.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3404 -8.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0549 -8.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7693 -7.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4838 -8.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1983 -7.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9127 -8.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9127 -8.9080 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 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 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 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 12 1 0 0 0 0 47 48 2 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 2 0 0 0 0 56 55 1 0 0 0 0 57 56 1 0 0 0 0 58 57 2 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 1 0 0 0 0 66 65 1 0 0 0 0 67 66 2 0 0 0 0 22 66 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 82 1 0 0 0 0 82 83 1 0 0 0 0 83 23 1 0 0 0 0 83 84 2 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 88 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 2 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 2 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 2 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 2 0 0 0 0 100101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 104 13 1 0 0 0 0 104105 2 0 0 0 0 M END > BMDB0010283 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-27,33-37,40-42,45-46,54,58,77-79,84H,5-8,10-12,14-20,24,28-32,38-39,43-44,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,27-23-,36-33-,37-34-,40-35-,45-41-,46-42-,58-54-/t77-,78-,79-/m1/s1 > ZLAXTUZQRVAWFK-PUFDHOEGSA-N > C83H142O17P2 > 1473.9529 > 1472.972226142 > 9 > 172.21032640971362 > 0 > 3 > 0 > 0 > [3-({[(2R)-2-(hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy]phosphinic acid > 9.22 > 24.53958714466667 > -7.26 > 0 > 0 > -2 > 2.1918043582171283 > 1.5897376143221367 > -3.4105029523385797 > 236.94999999999996 > 427.2776999999998 > 78 > 0 > 8.10e-05 g/l > 3-{[(2R)-2-(hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxyphosphinic acid > 0 > BMDB0010283 > CL(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/16:0) $$$$