Mrv0541 02251207062D 100 99 0 0 1 0 999 V2000 2.0625 15.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 12.1460 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 11.9625 16.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 15.7184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6125 16.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 16.4328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8500 17.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6750 17.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0875 17.8618 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.8020 17.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3730 18.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 18.5762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3250 18.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7375 19.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3250 20.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5625 19.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9750 20.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 20.0052 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 19.1802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 20.8302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6250 20.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0375 20.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 20.7197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2750 21.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1000 21.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5125 22.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1000 22.8631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3375 22.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7500 22.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5750 22.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9875 23.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8125 23.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2250 24.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0500 24.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4625 25.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2875 25.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7000 25.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2875 26.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7000 27.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2875 27.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7000 28.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2875 29.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7000 30.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2875 30.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 20.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 19.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0375 19.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 18.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 17.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 17.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 16.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 15.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 15.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0375 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6250 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5625 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 15.7184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 15.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6125 15.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 13.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6125 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2625 16.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6875 20.7197 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 7 6 1 4 0 0 0 7 8 2 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 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 54 53 1 4 0 0 0 54 55 2 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 70 71 1 0 0 0 0 71 72 1 0 0 0 0 73 72 1 4 0 0 0 73 74 2 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 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 22 99 1 1 0 0 0 39100 1 6 0 0 0 M END > NP0338974 > NP-MRD > [H][C@@](COC(=O)CCCCCCCC=CCC=CCCCCC)(COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC=CCCCCCC)OC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCCCC=CCCCCCC > InChI=1S/C79H144O17P2/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/h22,25-29,31-32,34,37,73-75,80H,5-21,23-24,30,33,35-36,38-72H2,1-4H3,(H,85,86)(H,87,88)/t73?,74-,75-/m1/s1 > BDWGOJJCGDCVGF-LAPMJKMRSA-N > C79H144O17P2 > 1427.926 > 1426.987876206 > 9 > 171.19324337774054 > 0 > 3 > 0 > 0 > [(2R)-2-(hexadec-9-enoyloxy)-3-(octadec-11-enoyloxy)propoxy][2-hydroxy-3-({hydroxy[(2R)-2-(octadec-11-enoyloxy)-3-(octadeca-9,12-dienoyloxy)propoxy]phosphoryl}oxy)propoxy]phosphinic acid > 9.09 > 24.570920768 > -7.30 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 403.29069999999984 > 79 > 0 > 7.15e-05 g/l > (2R)-2-(hexadec-9-enoyloxy)-3-(octadec-11-enoyloxy)propoxy(2-hydroxy-3-{[hydroxy(2R)-2-(octadec-11-enoyloxy)-3-(octadeca-9,12-dienoyloxy)propoxyphosphoryl]oxy}propoxy)phosphinic acid > 0 > NP0338974 > CL(18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)/16:1(9Z)) $$$$