Mrv0541 02241200372D 109108 0 0 1 0 999 V2000 27.7080 -12.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1262 -11.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6536 -10.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1806 -13.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0718 -9.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9530 -11.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2917 -11.2767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3876 -8.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4265 -9.0075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4652 -8.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3488 -9.0075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5040 -9.0075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6205 -9.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2073 -9.8662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5752 -8.6020 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.7036 -8.9236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5752 -7.3057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6688 -13.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7076 -13.5598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7464 -13.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6299 -13.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7852 -13.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8736 -14.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4605 -14.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8564 -13.0864 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 25.8564 -12.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4368 -14.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6434 -9.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3579 -8.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0723 -9.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7868 -8.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5013 -9.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2159 -8.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9303 -8.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6447 -9.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3593 -8.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0737 -8.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7882 -9.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5027 -8.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2172 -9.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9316 -8.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6461 -9.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3606 -8.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0750 -9.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7895 -8.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7895 -7.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7598 -9.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4743 -10.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1888 -9.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9032 -10.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6177 -9.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 -10.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0467 -10.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7612 -9.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4756 -10.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1902 -10.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9046 -9.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6191 -10.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3336 -9.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0481 -10.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7625 -9.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4770 -10.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1915 -9.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9059 -10.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9059 -11.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1551 -14.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8696 -14.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5841 -14.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2986 -14.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0131 -14.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7275 -14.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4420 -14.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1565 -14.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8709 -14.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5854 -14.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2999 -14.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0144 -14.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7289 -14.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4433 -14.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1578 -14.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8723 -14.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5867 -14.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3012 -14.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0157 -14.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7302 -14.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4447 -14.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1591 -14.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1591 -15.6416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4957 -13.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 -13.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9246 -13.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6391 -13.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3535 -13.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0680 -13.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7825 -13.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4970 -13.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2115 -13.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9259 -13.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6404 -13.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3549 -13.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0693 -13.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7838 -13.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4983 -13.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2128 -13.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9273 -13.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6418 -13.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3562 -13.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0707 -13.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0707 -12.3223 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 13 64 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 2 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 2 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 2 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 2 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 23 1 0 0 0 0 87 88 2 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 2 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 2 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 2 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 2 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 108 22 1 0 0 0 0 108109 2 0 0 0 0 M END > BMDB0010250 > 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)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC > InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-37-39-40-42-46-50-54-58-62-66-70-74-87(92)104-83(78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(103-86(91)73-69-65-61-57-53-49-44-36-32-28-24-20-16-12-8-4)77-97-84(89)71-67-63-59-55-51-47-43-35-31-27-23-19-15-11-7-3/h9,13,21-28,33-38,40,42-45,48,50,54,56,60,62,66,81-83,88H,5-8,10-12,14-20,29-32,39,41,46-47,49,51-53,55,57-59,61,63-65,67-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,42-40-,43-35-,44-36-,48-45-,54-50-,60-56-,66-62-/t81-,82+,83+/m0/s1 > YAFUBRKZBHXFPH-MFBASBHDSA-N > C87H142O17P2 > 1521.9957 > 1520.972226142 > 9 > 176.0703687685307 > 0 > 3 > 0 > 0 > [3-({[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy]phosphinic acid > 8.93 > 24.870175177999997 > -7.22 > 0 > 0 > -2 > 2.191804358192352 > 1.5897376142934831 > -3.4105029523385797 > 236.94999999999996 > 450.14809999999954 > 78 > 0 > 9.19e-05 g/l > 3-{[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxyphosphinic acid > 0 > BMDB0010250 > CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) $$$$