Mrv1652310031619502D 66 66 0 0 1 0 999 V2000 16.3209 16.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7758 15.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4976 16.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 14.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0402 16.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6843 14.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2169 16.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5076 14.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7595 15.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8735 13.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1254 14.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6969 13.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6680 14.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0628 12.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8447 14.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8861 12.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4788 14.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 11.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6555 14.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0753 11.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1981 14.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4412 11.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5640 13.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2645 10.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1066 12.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6304 10.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4725 12.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4537 10.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0151 11.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8197 9.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2896 9.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1981 7.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8322 8.5852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3811 10.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6430 9.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0070 5.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7464 5.9181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3204 6.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7992 6.7414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3732 6.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1126 7.1988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2044 10.6449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1004 10.0640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9541 4.7289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4330 5.4607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5809 5.6437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5386 7.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6866 7.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9362 9.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7922 8.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9237 10.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0214 7.7929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0089 8.6380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1654 8.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4788 8.4795 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.8510 16.9828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9362 15.6096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0339 13.3913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3873 13.4970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6555 8.5323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6936 5.0948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4858 6.2840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6338 6.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 6.3755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4260 7.6562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8520 7.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 2 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 33 31 1 0 0 0 0 33 32 1 0 0 0 0 34 29 1 0 0 0 0 35 30 1 0 0 0 0 37 36 1 0 0 0 0 38 36 1 0 0 0 0 39 37 1 0 0 0 0 40 38 1 0 0 0 0 41 39 1 0 0 0 0 41 40 1 0 0 0 0 42 34 2 0 0 0 0 43 35 2 0 0 0 0 44 36 1 0 0 0 0 37 45 1 6 0 0 0 46 38 1 0 0 0 0 39 47 1 1 0 0 0 48 40 1 0 0 0 0 51 31 1 0 0 0 0 51 34 1 0 0 0 0 52 32 1 0 0 0 0 33 53 1 1 0 0 0 53 35 1 0 0 0 0 41 54 1 6 0 0 0 55 49 1 0 0 0 0 55 50 2 0 0 0 0 55 52 1 0 0 0 0 55 54 1 0 0 0 0 56 7 1 0 0 0 0 57 9 1 0 0 0 0 58 13 1 0 0 0 0 59 15 1 0 0 0 0 33 60 1 1 0 0 0 61 36 1 0 0 0 0 37 62 1 1 0 0 0 63 38 1 0 0 0 0 39 64 1 1 0 0 0 65 40 1 0 0 0 0 41 66 1 1 0 0 0 M END > BMDB0009802 > bmdb > [H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC > InChI=1S/C41H75O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h7,9,13,15,33,36-41,44-48H,3-6,8,10-12,14,16-32H2,1-2H3,(H,49,50)/b9-7-,15-13-/t33-,36?,37-,38?,39-,40?,41-/m1/s1 > BZUNGYVNIWPISD-KCVSMBFKSA-N > C41H75O13P > 807.012 > 806.494529473 > 9 > 130 > 91.47162198857002 > 0 > 6 > 0 > 0 > [(2R)-3-[(9Z,12Z)-hexadeca-9,12-dienoyloxy]-2-(hexadecanoyloxy)propoxy]({[(1S,2R,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid > 6.57 > 8.270212576666669 > -5.72 > 0 > 1 > -1 > 12.360530531715522 > 1.8332552462032856 > -3.6458130204247565 > 209.50999999999996 > 212.80100000000007 > 36 > 0 > 1.54e-03 g/l > (2R)-3-[(9Z,12Z)-hexadeca-9,12-dienoyloxy]-2-(hexadecanoyloxy)propoxy([(1S,2R,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid > 0 > BMDB0009802 > PI(16:2(9Z,12Z)/16:0) $$$$