Mrv0541 02251201412D 100 99 0 0 1 0 999 V2000 -3.7125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 5.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 5.0013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4250 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 6.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 7.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 15.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 15.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 15.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 15.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 2.8579 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.7105 2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1395 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -1.4289 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.7105 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1395 -1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -3.5724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4250 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -5.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -5.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 -15.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 -15.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 5.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -4.2869 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 8 9 1 0 0 0 0 9 10 1 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 2 0 0 0 0 16 18 1 0 0 0 0 19 18 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 31 30 1 4 0 0 0 31 32 2 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 35 36 1 0 0 0 0 36 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 19 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 43 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 48 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 52 54 2 0 0 0 0 52 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 2 0 0 0 0 60 62 1 0 0 0 0 62 63 1 0 0 0 0 63 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 69 68 1 4 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 72 71 1 4 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 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 57 79 1 1 0 0 0 79 80 1 0 0 0 0 80 81 2 0 0 0 0 80 82 1 0 0 0 0 82 83 1 0 0 0 0 83 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 19 99 1 1 0 0 0 57100 1 6 0 0 0 M END > NP0338776 > NP-MRD > [H][C@@](COC(=O)CCCCCCCC=CCCCCCCCC)(COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCCCC=CCCCCCC)OC(=O)CCCCCCCCCCCCCCC > InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h22,26-27,31,33-34,36-37,73-75,80H,5-21,23-25,28-30,32,35,38-72H2,1-4H3,(H,85,86)(H,87,88)/t73?,74-,75-/m1/s1 > DFZYFBOIJNTFAC-LAPMJKMRSA-N > C79H146O17P2 > 1429.9419 > 1429.00352627 > 9 > 172.8587042940559 > 0 > 3 > 0 > 0 > [3-({[(2R)-2-(hexadecanoyloxy)-3-(octadec-9-enoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-(octadec-11-enoyloxy)-3-(octadeca-9,12-dienoyloxy)propoxy]phosphinic acid > 9.07 > 24.932842424666664 > -7.30 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999993 > 402.1740999999998 > 80 > 0 > 7.25e-05 g/l > 3-{[(2R)-2-(hexadecanoyloxy)-3-(octadec-9-enoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-2-(octadec-11-enoyloxy)-3-(octadeca-9,12-dienoyloxy)propoxyphosphinic acid > 0 > NP0338776 > CL(18:2(9Z,12Z)/18:1(11Z)/18:1(9Z)/16:0) $$$$