Mrv0541 02241201162D 105104 0 0 1 0 999 V2000 29.1622 -9.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5804 -8.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1078 -7.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6348 -10.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5260 -6.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4073 -8.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7460 -8.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.8419 -5.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8807 -6.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.9194 -5.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8030 -6.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9582 -6.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0747 -6.9713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6616 -7.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.0294 -5.7494 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 30.1579 -6.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0294 -4.4532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1230 -10.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1619 -10.7072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2006 -10.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0842 -10.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2394 -10.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3279 -11.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9147 -11.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.3106 -10.2339 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.3106 -9.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8910 -11.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3788 -10.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0933 -10.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8078 -10.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5223 -10.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2367 -10.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9513 -10.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6658 -10.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3802 -10.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0947 -10.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8091 -10.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5236 -10.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2381 -10.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9526 -10.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6671 -10.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3815 -10.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0960 -10.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8105 -10.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5249 -10.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5249 -9.4697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8964 -11.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6108 -11.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3253 -11.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0398 -11.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7542 -11.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4687 -11.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1832 -11.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8977 -11.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6121 -11.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3266 -11.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0411 -11.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7555 -11.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4700 -11.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1845 -11.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8989 -11.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6135 -11.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6135 -12.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6687 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3832 -5.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0977 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8121 -5.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5266 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2411 -5.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9555 -5.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6701 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3845 -5.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0990 -5.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8135 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5279 -5.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2424 -5.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9569 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6714 -5.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3859 -5.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1003 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8148 -5.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5293 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2437 -5.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2437 -4.9175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7852 -7.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4997 -6.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2141 -7.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9286 -6.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6431 -7.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3575 -6.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0720 -7.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7865 -6.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5010 -7.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2155 -7.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9300 -6.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6444 -7.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3589 -7.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0734 -6.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7879 -7.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5024 -7.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2168 -6.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9313 -7.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6458 -6.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3602 -7.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3602 -8.2088 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 22 45 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 23 1 0 0 0 0 62 63 2 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 2 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 2 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 12 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 1 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 > BMDB0010693 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC > 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/h21,23,25,27-28,32-37,40-42,45-46,52,54,56,58,77-79,84H,5-20,22,24,26,29-31,38-39,43-44,47-51,53,55,57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,27-23-,32-28-,36-33-,37-34-,40-35-,45-41-,46-42-,56-52-,58-54-/t77-,78-,79-/m1/s1 > YJNNOEIPJAYOBT-XKIQSGGWSA-N > C83H142O17P2 > 1473.9529 > 1472.972226142 > 9 > 172.89448373249402 > 0 > 3 > 0 > 0 > [3-({[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-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-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propoxy]phosphinic acid > 9.27 > 24.53958714466667 > -7.26 > 0 > 0 > -2 > 2.1918043582170594 > 1.5897376143219288 > -3.4105029523385797 > 236.94999999999996 > 427.2776999999997 > 78 > 0 > 8.12e-05 g/l > 3-{[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-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-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propoxyphosphinic acid > 0 > BMDB0010693 > CL(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/16:1(9Z)) $$$$