Mrv0541 05311207222D 56 55 0 0 0 0 999 V2000 12.4400 2.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5664 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7256 3.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8520 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7256 3.9552 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 11.0111 4.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4230 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0111 5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7086 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2966 5.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9941 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2966 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2796 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5651 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8677 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8507 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1532 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1362 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4387 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4217 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7243 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7073 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0098 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9928 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2953 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2783 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5809 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5638 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8664 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8494 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1519 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 10.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4855 9.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0085 7.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3395 9.6197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0085 6.8427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1349 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4374 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3395 11.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 8.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1349 5.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4374 7.6677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 8.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 9.7302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4204 6.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 8.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 8.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 6.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 8.9052 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.0111 6.8427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 7.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 10.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 7.2552 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 1 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 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 38 34 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 39 37 1 0 0 0 0 40 32 1 0 0 0 0 41 33 1 0 0 0 0 42 34 1 0 0 0 0 38 43 1 6 0 0 0 44 40 2 0 0 0 0 45 41 2 0 0 0 0 48 36 1 0 0 0 0 48 40 1 0 0 0 0 49 35 1 0 0 0 0 50 37 1 0 0 0 0 39 51 1 1 0 0 0 51 41 1 0 0 0 0 52 46 1 0 0 0 0 52 47 2 0 0 0 0 52 49 1 0 0 0 0 52 50 1 0 0 0 0 53 13 1 0 0 0 0 54 15 1 0 0 0 0 38 55 1 6 0 0 0 39 56 1 1 0 0 0 M END > M2MDB001483 > M2MDB > [H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCC)COP(O)(=O)OC[C@@]([H])(O)CO > InChI=1S/C41H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)51-39(37-50-52(46,47)49-35-38(43)34-42)36-48-40(44)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,38-39,42-43H,3-12,14,16-37H2,1-2H3,(H,46,47)/b15-13-/t38-,39+/m0/s1 > LTIMJOQJSBVVQU-LFZSHSSHSA-N > C41H79O10P > 763.0337 > 762.54108526 > 6 > 92.0872461763627 > 0 > 3 > 0 > 0 > [(2S)-2,3-dihydroxypropoxy][(2R)-3-(heptadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid > 8.37 > 11.908835857666666 > -6.94 > 0 > 0 > -1 > 13.641245576372423 > 1.8907737771908404 > -2.9689647678483633 > 148.82 > 210.22850000000008 > 42 > 0 > 8.76e-05 g/l > (2S)-2,3-dihydroxypropoxy(2R)-3-(heptadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propoxyphosphinic acid > 0 > ECMDB21067 > PG(18:1(11Z)/17:0) $$$$