Mrv0541 02241200332D 103102 0 0 1 0 999 V2000 28.9804 -8.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3986 -7.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9260 -6.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4530 -9.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3442 -5.9830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2255 -7.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5641 -7.5432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6600 -4.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6989 -5.2740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.7376 -4.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6212 -5.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7764 -5.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8928 -6.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4797 -6.1327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.8475 -4.8685 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 29.9761 -5.1901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8475 -3.5722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9412 -9.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9800 -9.8263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0188 -9.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9024 -9.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0576 -9.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1460 -10.6706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7329 -10.7129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1287 -9.3529 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.1287 -8.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7092 -10.4094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9158 -4.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6303 -5.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3448 -4.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0592 -5.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7737 -4.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4882 -5.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2027 -4.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9172 -5.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6317 -4.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3461 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0606 -5.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7751 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4896 -5.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2041 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9185 -5.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6330 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3475 -5.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0619 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0619 -4.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1970 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9115 -9.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6260 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3404 -9.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0549 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7694 -9.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4839 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1984 -9.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9128 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6273 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3418 -9.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0563 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7708 -9.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4853 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1997 -9.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9142 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6287 -9.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3431 -9.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3431 -8.5888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0323 -6.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7467 -6.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4612 -6.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1757 -6.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8901 -6.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6047 -6.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3191 -6.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0336 -6.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7481 -6.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4625 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1770 -6.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8915 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6060 -6.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3205 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0350 -6.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7494 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4639 -6.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1784 -6.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1784 -7.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2855 -10.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -11.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7144 -10.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4289 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1434 -10.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8579 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5724 -11.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2868 -10.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0013 -11.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7158 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4302 -10.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1447 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8592 -10.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5737 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2882 -10.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0026 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7171 -10.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4316 -11.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4316 -11.9081 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 1 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 1 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 13 83 1 0 0 0 0 86 85 1 0 0 0 0 87 86 1 0 0 0 0 88 87 1 0 0 0 0 89 88 1 0 0 0 0 90 89 1 0 0 0 0 91 90 2 0 0 0 0 92 91 1 0 0 0 0 93 92 1 0 0 0 0 94 93 2 0 0 0 0 95 94 1 0 0 0 0 96 95 1 0 0 0 0 97 96 1 0 0 0 0 98 97 1 0 0 0 0 99 98 1 0 0 0 0 100 99 1 0 0 0 0 101100 1 0 0 0 0 102101 1 0 0 0 0 103102 2 0 0 0 0 23102 1 0 0 0 0 M END > BMDB0010227 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C81H148O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h23,27,33-40,75-77,82H,5-22,24-26,28-32,41-74H2,1-4H3,(H,87,88)(H,89,90)/b27-23-,37-33-,38-34-,39-35-,40-36-/t75-,76-,77-/m1/s1 > HGIKPGJCIWRORL-JYXOMHFHSA-N > C81H148O17P2 > 1455.9791 > 1455.019176334 > 9 > 174.38369078867333 > 0 > 3 > 0 > 0 > [3-({[(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid > 9.14 > 25.460058098 > -7.29 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 412.4926999999999 > 81 > 0 > 7.54e-05 g/l > 3-{[(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphinic acid > 0 > BMDB0010227 > CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)) $$$$