Mrv0541 02241200432D 105104 0 0 1 0 999 V2000 27.4702 -8.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8884 -7.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4158 -6.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9428 -9.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8340 -5.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7153 -7.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0540 -7.5153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1499 -4.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1887 -5.2461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2274 -4.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1110 -5.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2662 -5.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3827 -6.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9696 -6.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.3374 -4.8405 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.4659 -5.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3374 -3.5442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4310 -9.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4699 -9.7983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5086 -9.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3922 -9.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5474 -9.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6359 -10.6426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2227 -10.6849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.6186 -9.3249 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 25.6186 -8.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1990 -10.3814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9767 -5.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6912 -4.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4056 -5.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1201 -4.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8346 -5.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5490 -4.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2635 -4.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9780 -5.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6925 -4.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4070 -4.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1215 -5.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8359 -4.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5504 -4.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2649 -5.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9794 -4.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6939 -4.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4083 -5.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1228 -4.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8373 -5.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5517 -4.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5517 -4.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6868 -9.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4013 -9.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1158 -9.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8302 -9.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5447 -9.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2592 -9.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9737 -9.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6882 -9.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4026 -9.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1171 -9.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8316 -9.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5461 -9.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2606 -9.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9751 -9.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6895 -9.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4040 -9.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1185 -9.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8329 -9.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8329 -8.5608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2043 -10.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9188 -11.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6333 -10.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3478 -11.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0622 -10.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7767 -11.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4912 -10.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2056 -11.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9201 -10.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6346 -11.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3490 -10.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0635 -11.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7780 -10.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4924 -11.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2069 -10.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9214 -11.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9214 -11.8801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0932 -6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8077 -6.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5221 -6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2366 -6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9511 -6.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6655 -6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3800 -6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0945 -6.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8090 -6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5235 -6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2379 -6.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9524 -6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6669 -6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3814 -6.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0959 -6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8104 -6.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5248 -6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2393 -6.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9538 -6.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6682 -6.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6682 -7.2999 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 1 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 2 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 2 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 1 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 > BMDB0010277 > 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)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC > 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/h10,14,21-23,25-27,33-37,40-42,45-46,52,56,77-79,84H,5-9,11-13,15-20,24,28-32,38-39,43-44,47-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b14-10-,25-21-,26-22-,27-23-,36-33-,37-34-,40-35-,45-41-,46-42-,56-52-/t77-,78-,79-/m1/s1 > IRFLTWGODJNWLZ-ZKBNFEFRSA-N > C83H142O17P2 > 1473.9529 > 1472.972226142 > 9 > 170.86324219905083 > 0 > 3 > 0 > 0 > [3-({[(2R)-2-(hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy]phosphinic acid > 9.22 > 24.53958714466667 > -7.26 > 0 > 0 > -2 > 2.191804358217161 > 1.589737614322165 > -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)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxyphosphinic acid > 0 > BMDB0010277 > CL(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/16:0) $$$$