Mrv1652307191923472D 107106 0 0 1 0 999 V2000 29.7075 -9.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1257 -8.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6531 -8.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1801 -10.9170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0713 -7.0737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9526 -8.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2912 -8.6339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.3871 -5.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4260 -6.3647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.4648 -5.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3483 -6.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5035 -6.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6200 -7.1810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2068 -7.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.5747 -5.9592 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 30.7032 -6.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5747 -4.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6683 -10.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7072 -10.9170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7459 -10.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6295 -10.9170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7847 -10.9170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8732 -11.7613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4600 -11.8036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.8558 -10.4436 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.8558 -9.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4363 -11.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7594 -7.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4739 -7.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1883 -7.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9028 -7.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6173 -7.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3318 -7.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0463 -7.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7607 -7.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4752 -7.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1897 -7.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9041 -7.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6186 -7.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3331 -7.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0476 -7.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7621 -7.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4765 -7.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1910 -7.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9055 -7.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9055 -8.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9242 -10.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6386 -10.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3531 -10.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0676 -10.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7820 -10.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4966 -10.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2110 -10.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9255 -10.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6400 -10.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3544 -10.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0689 -10.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7834 -10.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4979 -10.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2124 -10.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9268 -10.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6413 -10.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3558 -10.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0703 -10.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0703 -9.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0126 -12.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7271 -11.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4415 -12.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1560 -11.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8705 -12.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5850 -11.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2995 -12.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0140 -11.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7284 -12.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4429 -12.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1574 -11.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8718 -12.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5864 -11.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3008 -12.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0153 -11.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7298 -12.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4442 -11.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1587 -12.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1587 -12.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7850 -5.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4995 -6.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2140 -5.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9285 -5.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6430 -6.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3574 -5.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0719 -5.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7864 -6.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5008 -5.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2153 -5.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9298 -6.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6443 -5.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3588 -5.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0732 -6.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7877 -5.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5022 -5.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2167 -6.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9311 -5.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6457 -6.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3601 -5.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0746 -6.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7891 -5.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7891 -5.1272 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 13 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 22 64 1 0 0 0 0 67 66 1 0 0 0 0 68 67 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 1 0 0 0 0 75 74 2 0 0 0 0 76 75 1 0 0 0 0 77 76 1 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 2 0 0 0 0 23 83 1 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 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 104105 1 0 0 0 0 105106 1 0 0 0 0 106 12 1 0 0 0 0 106107 2 0 0 0 0 M END > BMDB0010288 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h9,13,21-22,24-26,28,33-37,39-43,46,50,79-81,86H,5-8,10-12,14-20,23,27,29-32,38,44-45,47-49,51-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,28-24-,37-33-,40-39-,41-34-,42-35-,43-36-,50-46-/t79-,80-,81-/m1/s1 > JNNDHTRZWPJCBR-MVYAUVGPSA-N > C85H146O17P2 > 1502.0061 > 1501.00352627 > 9 > 250 > 175.74773241656354 > 0 > 3 > 0 > 0 > [(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy][2-hydroxy-3-({hydroxy[(2R)-2-[(9Z)-octadec-9-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid > 9.23 > 25.428724474666666 > -7.27 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 436.47969999999975 > 80 > 0 > 8.13e-05 g/l > (2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(2-hydroxy-3-{[hydroxy((2R)-2-[(9Z)-octadec-9-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy)phosphoryl]oxy}propoxy)phosphinic acid > 0 > BMDB0010288 > CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)) $$$$