Mrv1572004261613412D 74 73 0 0 1 0 999 V2000 4.2723 -6.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5771 -1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3812 -5.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8144 -1.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1439 -5.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1607 -1.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7976 -5.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3980 -1.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5603 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7442 -1.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6693 -4.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9816 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4320 -4.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3278 -2.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5409 -3.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5651 -1.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8872 -2.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9114 -2.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9962 -1.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0204 -3.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3424 -1.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5797 -1.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3666 -3.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9260 -1.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6039 -3.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1633 -1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9502 -3.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0543 -2.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1875 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -2.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5338 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1827 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7711 -3.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8364 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1173 -4.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7275 -4.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3546 -3.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9648 -5.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7009 -4.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3111 -4.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5178 -7.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7001 -7.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5218 -4.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -5.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1319 -4.8305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9382 -4.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5484 -5.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 -8.7126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8293 -3.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4394 -5.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -6.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4588 -7.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2845 -4.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3855 -7.0782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6767 -6.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8946 -4.5159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 -6.9693 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 -4.2643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6887 -6.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0155 -3.9498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8726 -0.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0857 -4.6418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4368 -3.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1245 -3.1320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1487 -2.0626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7588 -1.6852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7830 -3.5094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -2.6288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0349 -0.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4950 -2.5659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0591 -4.7047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7081 -2.9433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6379 -2.2513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6308 -5.1450 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 2 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 2 0 0 0 0 15 13 1 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 2 0 0 0 0 20 18 2 0 0 0 0 21 19 1 0 0 0 0 22 21 1 0 0 0 0 23 20 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 2 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 2 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 37 35 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 42 41 1 0 0 0 0 45 43 1 0 0 0 0 45 44 1 0 0 0 0 46 39 1 0 0 0 0 47 40 1 0 0 0 0 48 41 1 0 0 0 0 49 46 2 0 0 0 0 50 47 2 0 0 0 0 53 43 1 0 0 0 0 53 46 1 0 0 0 0 54 42 1 0 0 0 0 55 44 1 0 0 0 0 45 56 1 6 0 0 0 56 47 1 0 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 55 1 0 0 0 0 58 5 1 0 0 0 0 59 7 1 0 0 0 0 60 11 1 0 0 0 0 61 12 1 0 0 0 0 62 13 1 0 0 0 0 63 14 1 0 0 0 0 64 17 1 0 0 0 0 65 18 1 0 0 0 0 66 19 1 0 0 0 0 67 20 1 0 0 0 0 68 22 1 0 0 0 0 69 24 1 0 0 0 0 70 25 1 0 0 0 0 71 27 1 0 0 0 0 72 28 1 0 0 0 0 73 30 1 0 0 0 0 45 74 1 6 0 0 0 M END > CHEM038694 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)COP(O)(=O)OCCN > InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30,45H,3-4,6,8-10,15-16,21,23,26,29,31-44,48H2,1-2H3,(H,51,52)/b7-5+,13-11+,14-12+,19-17+,20-18+,24-22+,27-25+,30-28+/t45-/m1/s1 > HKJKZOPWEUWLBC-PTXRJDFBSA-N > C47H78NO8P > 816.114 > 815.546505474 > 5 > 135 > 95.71468276243445 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-2-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]propoxy]phosphinic acid > 8.60 > 12.001228755803423 > -7.09 > 0 > 0 > 0 > 1.8688003136581992 > 9.999929336362278 > 134.38000000000002 > 245.94670000000008 > 41 > 0 > 6.59e-05 g/l > 2-aminoethoxy((2R)-2-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]propoxy)phosphinic acid > 0 > PE(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) $$$$