Mrv1572009081522272D 84 83 0 0 1 0 999 V2000 8.1695 -23.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7096 -22.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4395 -21.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6294 -21.6308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3593 -20.8512 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.5798 -21.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1389 -20.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0893 -20.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -19.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0091 -19.1362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1990 -18.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9289 -18.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1188 -18.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5787 -18.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8487 -17.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0386 -17.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7686 -16.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9584 -16.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6884 -15.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8783 -15.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6082 -14.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2019 -14.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -13.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2821 -13.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5521 -12.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3623 -12.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6323 -11.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4425 -11.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5226 -10.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7927 -9.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0627 -11.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5492 -18.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -17.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4690 -17.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8192 -17.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5492 -16.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7391 -16.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0893 -15.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8192 -14.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3593 -14.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0893 -13.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6294 -12.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3593 -12.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8994 -11.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6294 -10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1695 -10.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5197 -22.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7897 -23.5017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5999 -23.6576 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.4440 -24.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7558 -22.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4100 -23.8135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6800 -24.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4902 -24.7490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7602 -25.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5704 -25.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8404 -26.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3003 -27.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6505 -26.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9206 -27.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7307 -27.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0008 -28.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8109 -28.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0809 -29.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8911 -29.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1611 -30.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9712 -30.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2413 -31.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0514 -31.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0303 -24.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7602 -23.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9501 -23.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3003 -22.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0303 -21.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5704 -21.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3003 -20.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8404 -19.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5704 -19.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1104 -18.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8404 -17.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3805 -17.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1104 -16.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6505 -15.7062 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 37 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 2 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 50 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 2 0 0 0 0 58 60 1 0 0 0 0 60 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 55 71 1 6 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 72 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 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 M END > M2MDB007021 > M2MDB > CCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CC(O)CCCCCCCCC)OC(=O)CCCCCCCCCCC > InChI=1S/C64H124O18P2/c1-6-9-12-15-18-25-31-36-41-46-61(67)75-52-59(81-63(69)48-43-38-33-26-19-16-13-10-7-2)54-79-83(71,72)77-50-58(66)51-78-84(73,74)80-55-60(82-64(70)49-57(65)45-40-35-29-17-14-11-8-3)53-76-62(68)47-42-37-32-28-24-22-20-21-23-27-30-34-39-44-56(4)5/h56-60,65-66H,6-55H2,1-5H3,(H,71,72)(H,73,74)/t57?,58?,59-,60-/m1/s1 > QHTMZYQYOIIXFA-YUTPSASLSA-N > C64H124O18P2 > 1243.626 > 1242.826291149 > 10 > 208 > 145.95203098188077 > 0 > 4 > 0 > 0 > [3-({[(2R)-2,3-bis(dodecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(3-hydroxydodecanoyl)oxy]-3-[(17-methyloctadecanoyl)oxy]propoxy]phosphinic acid > 7.76 > 18.32363844066667 > -6.84 > 0 > 0 > -2 > 2.191804357997735 > 1.5897376140713142 > -2.798759057602271 > 257.17999999999995 > 330.1558 > 68 > 0 > 1.80e-04 g/l > 3-{[(2R)-2,3-bis(dodecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(3-hydroxydodecanoyl)oxy]-3-[(17-methyloctadecanoyl)oxy]propoxy)phosphinic acid > 0 > ECMDB24904 > CL(19:iso/12:0(3-OH)/12:0/12:0) $$$$