Mrv1652310031619502D 66 66 0 0 1 0 999 V2000 -10.5975 -2.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3987 -3.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2316 -3.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0328 -3.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4083 -3.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4902 -2.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0424 -4.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1243 -1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2191 -4.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -1.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8531 -5.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8436 -2.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0298 -5.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0203 -2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6639 -6.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5629 -2.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8406 -6.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9288 -3.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4747 -6.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4714 -4.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6514 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8373 -5.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2855 -7.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3799 -5.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4622 -7.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7458 -6.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0963 -8.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2885 -7.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2729 -8.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6544 -7.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7178 -9.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4714 -10.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1055 -10.0439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9070 -9.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -8.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4193 -11.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4721 -12.0264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6799 -10.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7855 -12.4838 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9933 -11.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0461 -12.1179 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3644 -9.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6263 -8.5651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1059 -10.7457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2115 -12.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -10.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8383 -13.3071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2538 -10.9286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7458 -12.9487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1193 -11.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0837 -9.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -11.4699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5629 -9.3573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3595 -12.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3799 -12.2093 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.5817 -0.9597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9351 -0.8541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6544 -1.4878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2604 -2.8610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9288 -10.0967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1587 -11.5690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5249 -12.8497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9404 -10.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7327 -11.6605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3067 -11.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0989 -12.9412 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 2 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 1 0 0 0 0 16 14 2 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 8 1 0 0 0 0 57 10 1 0 0 0 0 58 14 1 0 0 0 0 59 16 1 0 0 0 0 33 60 1 6 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 > BMDB0009780 > bmdb > [H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O > 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/h8,10,14,16,33,36-41,44-48H,3-7,9,11-13,15,17-32H2,1-2H3,(H,49,50)/b10-8-,16-14-/t33-,36?,37-,38?,39-,40?,41-/m1/s1 > XVAYDAQDXIWIQD-BUNDLPNXSA-N > C41H75O13P > 807.012 > 806.494529473 > 9 > 130 > 91.8983588191021 > 0 > 6 > 0 > 0 > [(2R)-2-[(9Z,12Z)-hexadeca-9,12-dienoyloxy]-3-(hexadecanoyloxy)propoxy]({[(1S,2R,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid > 6.59 > 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)-2-[(9Z,12Z)-hexadeca-9,12-dienoyloxy]-3-(hexadecanoyloxy)propoxy([(1S,2R,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid > 0 > BMDB0009780 > PI(16:0/16:2(9Z,12Z)) $$$$