Mrv1572004261615172D 76 76 0 0 1 0 999 V2000 3.4577 -6.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4749 -1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1877 -5.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9348 -1.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7277 -5.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1247 -1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4577 -4.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5846 -0.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9978 -3.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7745 -1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7277 -2.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2344 -0.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4243 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9978 -1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1542 -1.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1877 -1.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3441 -1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1075 -0.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0740 -2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5674 -1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2639 -2.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7573 -0.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9939 -3.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 -1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1837 -3.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4872 -2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9137 -4.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0529 -2.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1036 -4.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 -3.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8335 -5.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3229 -4.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0234 -5.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0529 -5.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6731 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -7.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -7.1226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7533 -6.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -5.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5135 -7.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6694 -8.7653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7339 -7.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 -9.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1103 -8.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2662 -9.0353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2934 -6.6549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4031 -5.5635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1371 -7.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4490 -9.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -6.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2017 -10.1155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3307 -7.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -10.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0835 -9.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 -6.1872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1331 -8.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3229 -6.4990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6426 -9.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -9.3054 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 -2.7571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 -2.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8842 0.0492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6943 -1.9776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6476 -1.9776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4577 0.0492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8374 -1.8217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4872 -0.1067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1331 -6.3431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 -8.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8253 -9.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9544 -7.4151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8899 -8.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4867 -8.7653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4221 -9.8455 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 2 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 2 0 0 0 0 20 19 1 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 2 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 35 33 1 0 0 0 0 36 34 1 0 0 0 0 39 37 1 0 0 0 0 39 38 1 0 0 0 0 40 35 1 0 0 0 0 41 36 1 0 0 0 0 43 42 1 0 0 0 0 44 42 1 0 0 0 0 45 43 1 0 0 0 0 46 44 1 0 0 0 0 47 45 1 0 0 0 0 47 46 1 0 0 0 0 48 40 2 0 0 0 0 49 41 2 0 0 0 0 50 42 1 0 0 0 0 43 51 1 6 0 0 0 52 44 1 0 0 0 0 53 45 1 0 0 0 0 54 46 1 0 0 0 0 57 37 1 0 0 0 0 57 40 1 0 0 0 0 58 38 1 0 0 0 0 39 59 1 1 0 0 0 59 41 1 0 0 0 0 47 60 1 6 0 0 0 61 55 1 0 0 0 0 61 56 2 0 0 0 0 61 58 1 0 0 0 0 61 60 1 0 0 0 0 62 11 1 0 0 0 0 63 13 1 0 0 0 0 64 14 1 0 0 0 0 65 16 1 0 0 0 0 66 17 1 0 0 0 0 67 19 1 0 0 0 0 68 22 1 0 0 0 0 69 24 1 0 0 0 0 39 70 1 6 0 0 0 71 42 1 0 0 0 0 43 72 1 1 0 0 0 73 44 1 0 0 0 0 74 45 1 0 0 0 0 75 46 1 0 0 0 0 47 76 1 1 0 0 0 M END > CHEM039149 > chemdb > [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)C1([H])O)OC(=O)CCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,39,42-47,50-54H,3-10,12,15,18,20-21,23,25-38H2,1-2H3,(H,55,56)/b13-11+,16-14+,19-17+,24-22+/t39-,42?,43-,44?,45?,46?,47-/m1/s1 > HRIGUEOTNBMWNX-XECGVBTPSA-N > C47H83O13P > 887.142 > 886.557129731 > 9 > 144 > 102.93467370450827 > 0 > 6 > 0 > 0 > [(2R)-2-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]-3-[(11E)-octadec-11-enoyloxy]propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid > 7.35 > 10.213781253333337 > -6.32 > 0 > 1 > -1 > 12.360530531715522 > 1.8332552462032856 > -3.6458130204247565 > 209.50999999999996 > 242.64020000000008 > 40 > 0 > 4.25e-04 g/l > (2R)-2-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]-3-[(11E)-octadec-11-enoyloxy]propoxy([(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid > 0 > PI(18:1(11Z)/20:3(8Z,11Z,14Z)) $$$$