Mrv1652310031619512D 74 74 0 0 1 0 999 V2000 -9.9491 1.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0291 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3255 1.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5945 1.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5459 1.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9223 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9977 1.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1427 1.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8418 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9868 0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4654 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6105 0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3095 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4545 -0.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6750 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -1.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5191 -1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5945 -2.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7395 -1.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0291 -1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5836 -2.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8087 -1.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8041 -2.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9646 -2.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6482 -3.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -3.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8686 -3.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4969 -3.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7127 -4.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1268 -4.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9331 -5.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0291 -5.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8418 -6.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9063 -7.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 -7.1808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7772 -5.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5945 -5.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8044 -7.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0745 -8.4057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9943 -7.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5344 -9.0293 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4542 -8.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7243 -8.8734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4009 -6.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -5.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3445 -7.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8846 -8.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7243 -6.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8044 -9.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6441 -7.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2181 -10.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5639 -9.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9977 -6.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -8.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4386 -6.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1842 -9.4971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -9.3411 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 2.8109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7772 1.7307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2450 0.3805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3900 0.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9331 -1.2398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0782 -0.9698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9977 -2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4386 -2.8601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 -7.4508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6146 -7.7820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3445 -9.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1842 -7.3143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2644 -8.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9141 -8.7175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9943 -9.6530 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 2 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 2 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 2 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 34 32 1 0 0 0 0 37 35 1 0 0 0 0 37 36 1 0 0 0 0 38 33 1 0 0 0 0 39 34 1 0 0 0 0 41 40 1 0 0 0 0 42 40 1 0 0 0 0 43 41 1 0 0 0 0 44 42 1 0 0 0 0 45 43 1 0 0 0 0 45 44 1 0 0 0 0 46 38 2 0 0 0 0 47 39 2 0 0 0 0 48 40 1 0 0 0 0 41 49 1 6 0 0 0 50 42 1 0 0 0 0 43 51 1 1 0 0 0 52 44 1 0 0 0 0 55 35 1 0 0 0 0 55 38 1 0 0 0 0 56 36 1 0 0 0 0 37 57 1 1 0 0 0 57 39 1 0 0 0 0 45 58 1 6 0 0 0 59 53 1 0 0 0 0 59 54 2 0 0 0 0 59 56 1 0 0 0 0 59 58 1 0 0 0 0 60 6 1 0 0 0 0 61 8 1 0 0 0 0 62 12 1 0 0 0 0 63 13 1 0 0 0 0 64 14 1 0 0 0 0 65 15 1 0 0 0 0 66 18 1 0 0 0 0 67 20 1 0 0 0 0 37 68 1 6 0 0 0 69 40 1 0 0 0 0 41 70 1 1 0 0 0 71 42 1 0 0 0 0 43 72 1 1 0 0 0 73 44 1 0 0 0 0 45 74 1 1 0 0 0 M END > BMDB0009828 > bmdb > [H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC)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/C45H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12-15,18,20,37,40-45,48-52H,3-5,7,9-11,16-17,19,21-36H2,1-2H3,(H,53,54)/b8-6-,14-12-,15-13-,20-18-/t37-,40?,41-,42?,43-,44?,45-/m1/s1 > XOCJWQRCSPVKML-TZIADJEHSA-N > C45H79O13P > 859.088 > 858.525829602 > 9 > 138 > 98.58349154799635 > 0 > 6 > 0 > 0 > [(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]({[(1S,2R,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid > 6.89 > 9.324643923333337 > -6.07 > 0 > 1 > -1 > 12.360530531715522 > 1.8332552462032856 > -3.6458130204247565 > 209.50999999999996 > 233.43820000000008 > 38 > 0 > 7.25e-04 g/l > (2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy([(1S,2R,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid > 0 > BMDB0009828 > PI(18:1(11Z)/18:3(9Z,12Z,15Z)) $$$$