Mrv1572009081522282D 89 88 0 0 1 0 999 V2000 7.8248 -25.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4358 -24.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2612 -23.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4757 -23.6271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3011 -22.8208 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.4948 -22.9954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1074 -22.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1265 -22.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3409 -21.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1664 -20.9562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3808 -20.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2062 -19.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4206 -19.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8096 -20.2002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2461 -18.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4605 -18.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2859 -17.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5003 -17.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3258 -16.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5402 -16.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3656 -15.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -15.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4055 -14.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3801 -14.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5547 -13.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3403 -13.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5148 -12.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3004 -12.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2606 -11.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4352 -10.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8716 -11.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7774 -20.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6028 -19.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8172 -19.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2138 -19.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0392 -18.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6502 -17.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4757 -16.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0867 -16.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9121 -15.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5231 -14.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3485 -14.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9595 -13.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7850 -12.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3960 -12.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2214 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8324 -10.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2214 -24.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3960 -25.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1815 -25.9957 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.9296 -26.7812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4335 -25.2101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9671 -26.2476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1417 -27.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9273 -27.3059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1018 -28.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8874 -28.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0620 -29.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4510 -29.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8476 -29.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0222 -30.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8077 -30.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9823 -31.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7679 -31.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9425 -32.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7280 -32.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9026 -33.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6882 -33.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8628 -34.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6483 -34.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8229 -35.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6085 -35.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5383 -26.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3637 -25.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5781 -25.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9747 -25.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8001 -24.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4111 -24.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2366 -23.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8476 -22.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6730 -21.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2840 -21.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1094 -20.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7204 -19.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5459 -19.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1569 -18.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9823 -17.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5933 -17.2269 0.0000 C 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 5 7 2 0 0 0 0 5 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 2 0 0 0 0 13 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 1 0 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 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 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 30 31 1 0 0 0 0 30 32 1 0 0 0 0 10 33 1 1 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 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 40 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 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 2 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 2 0 0 0 0 51 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 2 0 0 0 0 59 61 1 0 0 0 0 61 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 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 72 73 1 0 0 0 0 56 74 1 6 0 0 0 74 75 1 0 0 0 0 75 76 2 0 0 0 0 75 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 80 81 1 0 0 0 0 81 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 M END > M2MDB007026 > M2MDB > CCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC > InChI=1S/C70H136O17P2/c1-6-9-12-15-18-21-27-33-38-43-48-53-67(72)80-59-65(86-69(74)55-50-45-40-35-28-22-19-16-13-10-7-2)61-84-88(76,77)82-57-64(71)58-83-89(78,79)85-62-66(87-70(75)56-51-46-41-36-29-23-20-17-14-11-8-3)60-81-68(73)54-49-44-39-34-31-26-24-25-30-32-37-42-47-52-63(4)5/h63-66,71H,6-62H2,1-5H3,(H,76,77)(H,78,79)/t64?,65-,66-/m1/s1 > RBUUJAMYVRFPDJ-OGAMCQQPSA-N > C70H136O17P2 > 1311.789 > 1310.925276915 > 9 > 225 > 158.73432587214134 > 0 > 3 > 0 > 0 > [3-({[(2R)-2,3-bis(tetradecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-[(17-methyloctadecanoyl)oxy]-2-(tetradecanoyloxy)propoxy]phosphinic acid > 8.63 > 22.22186149766667 > -7.26 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999993 > 356.24629999999996 > 74 > 0 > 7.27e-05 g/l > 3-{[(2R)-2,3-bis(tetradecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-3-[(17-methyloctadecanoyl)oxy]-2-(tetradecanoyloxy)propoxy)phosphinic acid > 0 > ECMDB24909 > CL(19:iso/14:0/14:0/14:0) $$$$