Mrv0541 02241200452D 107106 0 0 1 0 999 V2000 29.1342 -13.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5524 -12.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0798 -11.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6069 -14.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4980 -10.3598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3793 -11.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7180 -11.9200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.8139 -9.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8527 -9.6508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.8915 -9.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7750 -9.6508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9302 -9.6508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0467 -10.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6335 -10.5094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.0014 -9.2452 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 30.1299 -9.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0014 -7.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0951 -13.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1339 -14.2030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1727 -13.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0562 -14.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2114 -14.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2999 -15.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8868 -15.0896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2826 -13.7297 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.2826 -12.9047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8630 -14.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1861 -10.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9006 -10.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6150 -10.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3295 -10.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0440 -10.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7585 -10.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4730 -10.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1874 -10.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9019 -10.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6164 -10.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3309 -10.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0453 -10.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7599 -10.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4743 -10.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1888 -10.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9033 -10.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6177 -10.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3322 -10.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3322 -11.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3509 -14.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0653 -13.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7798 -14.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4943 -13.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2087 -14.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9233 -13.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6377 -13.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3522 -14.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0667 -13.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7812 -13.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4956 -14.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2101 -13.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9246 -14.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6391 -13.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3536 -14.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0680 -13.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7825 -14.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4970 -13.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4970 -12.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4393 -15.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1538 -15.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8683 -15.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5827 -15.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2972 -15.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0117 -15.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7262 -15.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4407 -15.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1551 -15.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8696 -15.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5841 -15.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2985 -15.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0131 -15.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7275 -15.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4420 -15.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1565 -15.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8709 -15.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5854 -15.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5854 -16.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2117 -9.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9262 -9.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6407 -9.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3552 -9.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0697 -9.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7841 -9.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4986 -9.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2131 -9.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9276 -9.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6420 -9.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3565 -9.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0710 -9.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7855 -9.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5000 -9.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2144 -9.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9289 -9.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6434 -9.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3578 -9.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0724 -9.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7868 -9.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5013 -9.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2158 -9.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2158 -8.4133 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 2 0 0 0 0 74 73 1 0 0 0 0 75 74 1 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 1 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 2 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 > BMDB0010287 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)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/h21-22,24-28,31,33-34,36-37,39-41,43,46,50,58,62,79-81,86H,5-20,23,29-30,32,35,38,42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21-,26-22-,28-24-,31-27-,37-33-,40-39-,41-34-,43-36-,50-46-,62-58-/t79-,80-,81-/m1/s1 > BATPCGFFBNNDTD-GJCBZKHVSA-N > C85H146O17P2 > 1502.0061 > 1501.00352627 > 9 > 176.4660034932257 > 0 > 3 > 0 > 0 > [(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy][2-hydroxy-3-({hydroxy[(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid > 9.28 > 25.428724474666666 > -7.28 > 0 > 0 > -2 > 2.1918043582151947 > 1.5897376143163378 > -3.4105029523385797 > 236.94999999999996 > 436.47969999999975 > 80 > 0 > 7.91e-05 g/l > (2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(2-hydroxy-3-{[hydroxy(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphoryl]oxy}propoxy)phosphinic acid > 0 > BMDB0010287 > CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)) $$$$