Mrv1652310031619512D 66 66 0 0 1 0 999 V2000 9.1881 20.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4962 14.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5405 19.2631 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 9.0707 18.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6708 14.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4230 17.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 14.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9532 17.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8454 13.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3056 16.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6676 13.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8357 15.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 12.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1881 14.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8422 12.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0103 14.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4802 15.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1945 11.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3024 15.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6547 14.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 11.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1849 14.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3691 10.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5373 13.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1913 10.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0675 12.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5437 10.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4198 11.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3659 10.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9500 11.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7183 9.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1849 9.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0675 7.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7151 8.4128 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3024 10.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5405 9.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8342 5.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5802 5.6931 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1560 5.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6480 6.5153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2239 6.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9698 6.9851 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1246 10.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0103 9.9047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7664 4.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2583 5.2232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4101 5.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3939 6.8676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5457 7.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8293 8.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6813 8.7470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8325 9.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8897 7.5990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8929 8.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0376 7.8073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3595 8.2771 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.0135 15.8046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7183 14.3126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5373 8.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5123 4.8709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3261 6.0454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4779 6.2804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9020 6.1629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 7.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7158 7.3375 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 17 1 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 21 20 1 0 0 0 0 22 19 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 35 33 1 0 0 0 0 35 34 1 0 0 0 0 36 31 1 0 0 0 0 37 32 1 0 0 0 0 39 38 1 0 0 0 0 40 38 1 0 0 0 0 41 39 1 0 0 0 0 42 40 1 0 0 0 0 43 41 1 0 0 0 0 43 42 1 0 0 0 0 44 36 2 0 0 0 0 45 37 2 0 0 0 0 46 38 1 0 0 0 0 39 47 1 6 0 0 0 48 40 1 0 0 0 0 41 49 1 1 0 0 0 50 42 1 0 0 0 0 53 33 1 0 0 0 0 53 36 1 0 0 0 0 54 34 1 0 0 0 0 35 55 1 1 0 0 0 55 37 1 0 0 0 0 43 56 1 6 0 0 0 57 51 1 0 0 0 0 57 52 2 0 0 0 0 57 54 1 0 0 0 0 57 56 1 0 0 0 0 58 13 1 0 0 0 0 59 15 1 0 0 0 0 35 60 1 1 0 0 0 61 38 1 0 0 0 0 39 62 1 1 0 0 0 63 40 1 0 0 0 0 41 64 1 1 0 0 0 65 42 1 0 0 0 0 43 66 1 1 0 0 0 M END > BMDB0009822 > bmdb > [H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=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/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,35,38-43,46-50H,3-12,14,16-34H2,1-2H3,(H,51,52)/b15-13-/t35-,38?,39-,40?,41-,42?,43-/m1/s1 > BMGNJDVZBKRPAW-NQLYDEITSA-N > C43H81O13P > 837.082 > 836.541479666 > 9 > 138 > 98.06999568668718 > 0 > 6 > 0 > 0 > [(2R)-2-(hexadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy]({[(1S,2R,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid > 7.27 > 9.521271563333336 > -5.96 > 0 > 1 > -1 > 12.360530531715522 > 1.8332552462032856 > -3.6458130204247565 > 209.50999999999996 > 220.8864000000001 > 39 > 0 > 9.16e-04 g/l > (2R)-2-(hexadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy([(1S,2R,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid > 0 > BMDB0009822 > PI(18:1(11Z)/16:0) $$$$