Mrv0541 02241200432D 107106 0 0 1 0 999 V2000 30.1550 -10.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5732 -9.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1006 -8.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6276 -11.3225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5188 -7.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.4001 -9.1161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7388 -9.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.8347 -6.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8735 -6.7703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.9122 -6.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7958 -6.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9510 -6.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0675 -7.5866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6544 -7.6289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.0222 -6.3647 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 31.1507 -6.6863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0222 -5.0685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1158 -10.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1547 -11.3225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1934 -10.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0770 -11.3225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2322 -11.3225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3207 -12.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9075 -12.2091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3034 -10.8492 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.3034 -10.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8838 -11.9057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6615 -6.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3760 -6.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0905 -6.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8049 -6.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5194 -6.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2339 -6.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9483 -6.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6629 -6.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3773 -6.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0918 -6.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8063 -6.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5207 -6.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2352 -6.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9497 -6.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6642 -6.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3787 -6.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0931 -6.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8076 -6.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5221 -6.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2365 -6.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2365 -5.5328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4601 -12.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1746 -12.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8890 -12.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6035 -12.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3180 -12.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0325 -12.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7470 -12.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4614 -12.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1759 -12.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8904 -12.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6048 -12.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3193 -12.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0338 -12.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7483 -12.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4628 -12.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1773 -12.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8917 -12.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6062 -12.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6062 -13.4043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3716 -11.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0861 -10.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8006 -11.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5151 -10.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2295 -11.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9441 -10.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6585 -10.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3730 -11.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0875 -10.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8019 -10.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5164 -11.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2309 -10.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9454 -11.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6599 -10.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3743 -11.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0888 -10.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8033 -11.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5177 -10.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5177 -10.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7780 -7.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4925 -7.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2069 -7.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9214 -7.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6359 -7.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3503 -7.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0648 -7.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7793 -7.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4938 -7.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2083 -7.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9228 -7.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6372 -7.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3517 -7.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0662 -7.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7807 -7.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4952 -7.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2096 -7.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9241 -7.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6386 -7.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3530 -7.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3530 -8.8241 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 23 66 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 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 22 85 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 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 2 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 98 99 2 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 101102 2 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 106 13 1 0 0 0 0 106107 2 0 0 0 0 M END > BMDB0010281 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)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/CCCCCCCC > InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h9,13,21,23-25,27-28,33-38,41-44,46,48,56,60,79-81,86H,5-8,10-12,14-20,22,26,29-32,39-40,45,47,49-55,57-59,61-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,27-23-,28-24-,37-33-,38-34-,41-35-,42-36-,46-43-,48-44-,60-56-/t79-,80-,81-/m1/s1 > BORMAVOOKKJJSF-JXXAGBISSA-N > C85H144O17P2 > 1499.9902 > 1498.987876206 > 9 > 176.40497161429542 > 0 > 3 > 0 > 0 > [3-({[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy]phosphinic acid > 9.17 > 25.066802818000006 > -7.25 > 0 > 0 > -2 > 2.1918043582171283 > 1.5897376143221367 > -3.4105029523385797 > 236.94999999999996 > 437.59629999999976 > 79 > 0 > 8.48e-05 g/l > 3-{[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxyphosphinic acid > 0 > BMDB0010281 > CL(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) $$$$