Mrv1652303302020052D 102101 0 0 1 0 999 V2000 16.2276 17.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2276 16.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9421 16.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9421 15.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6566 15.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6566 14.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3711 13.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3711 13.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0855 12.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0855 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5145 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2289 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9434 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6579 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3724 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0868 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8013 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8013 12.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5158 11.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2302 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9447 11.4315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.6592 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3737 11.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0881 11.8440 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 29.5006 11.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6756 12.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8026 12.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5171 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2315 12.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2315 13.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9460 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6605 12.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.3749 11.8440 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 32.9624 11.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.7874 12.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.0894 11.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.8039 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5184 11.4315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 36.2328 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9473 11.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.6618 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6618 12.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.3762 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0907 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.8052 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.5197 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.2341 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.9486 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6631 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3775 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.0920 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.8065 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.8065 12.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.5210 13.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.5210 13.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.2354 14.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.2354 15.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.9499 15.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.9499 16.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5184 10.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.8039 10.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0894 10.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.8039 9.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0894 8.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0894 8.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3749 7.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3749 6.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6605 6.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6605 5.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9460 5.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9460 4.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2315 4.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2315 3.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9460 2.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9460 1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6605 1.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6605 0.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3749 0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3749 -0.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9447 10.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2302 10.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5158 10.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2302 9.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5158 8.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5158 8.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8013 7.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8013 6.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0868 6.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0868 5.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3724 5.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3724 4.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6579 4.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9434 4.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2289 4.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5145 4.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 4.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0855 4.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3711 4.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6566 4.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6592 11.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.2329 11.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 4 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 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 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 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 42 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 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 51 50 1 4 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 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 39 61 1 1 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 62 64 1 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 1 0 0 0 0 71 70 1 4 0 0 0 71 72 2 0 0 0 0 72 73 1 0 0 0 0 74 73 1 4 0 0 0 74 75 2 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 22 81 1 6 0 0 0 81 82 1 0 0 0 0 82 83 2 0 0 0 0 82 84 1 0 0 0 0 84 85 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 91 90 1 4 0 0 0 91 92 2 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 22101 1 1 0 0 0 39102 1 6 0 0 0 M END > FDB027379 > foodb > [H][C@@](COC(=O)CCCCCCCC=CCCCCCCCC)(COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC > 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)/t75?,76-,77-/m1/s1 > HGIKPGJCIWRORL-GXYAQEMJSA-N > C81H148O17P2 > 1455.9791 > 1455.019176334 > 9 > 248 > 178.81140117422672 > 0 > 3 > 0 > 0 > [3-({[(2R)-2,3-bis(octadec-9-enoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-(octadec-9-enoyloxy)-2-(octadeca-9,12-dienoyloxy)propoxy]phosphinic acid > 9.14 > 25.460058098 > -7.29 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 412.4926999999998 > 81 > 0 > 7.54e-05 g/l > 3-{[(2R)-2,3-bis(octadec-9-enoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-3-(octadec-9-enoyloxy)-2-(octadeca-9,12-dienoyloxy)propoxy)phosphinic acid > 0 > FDB027379 > CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)) $$$$