Mrv1572004261613212D 72 71 0 0 1 0 999 V2000 10.0243 2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8388 8.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7387 2.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1243 8.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7387 3.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1243 7.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4532 3.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4099 7.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4532 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4099 6.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7387 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6954 5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7387 5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6954 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0243 6.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9809 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3098 5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2664 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5953 6.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5520 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8809 5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8809 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8375 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1664 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1230 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1664 3.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4086 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 3.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6941 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7374 3.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9796 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 3.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2651 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3085 3.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5507 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3085 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8362 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1217 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6119 7.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2131 7.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0217 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 5.0013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4073 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0244 8.4927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4073 3.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 5.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2756 7.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4506 7.8888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 5.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6256 7.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4506 6.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4506 4.5888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4506 7.0638 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.0243 3.7638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1677 3.3513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0243 4.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4532 6.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3098 5.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2664 5.8263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5953 7.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5520 3.7638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5953 4.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 5.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 2.5263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7374 4.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 3.3513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 5.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0217 5.4138 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 1 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 1 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 2 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 1 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 13 1 0 0 0 0 62 17 1 0 0 0 0 63 18 1 0 0 0 0 64 19 1 0 0 0 0 65 20 1 0 0 0 0 66 22 1 0 0 0 0 67 24 1 0 0 0 0 68 28 1 0 0 0 0 69 30 1 0 0 0 0 70 34 1 0 0 0 0 71 36 1 0 0 0 0 45 72 1 1 0 0 0 M END > CHEM038596 > 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])C\C([H])=C(/[H])CCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C([H])=C(/[H])CCCCCCCC)COP(O)(=O)OCCN > InChI=1S/C47H80NO8P/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/h5,7,11,13,17-20,22,24,28,30,34,36,45H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b7-5+,13-11+,19-17+,20-18+,24-22+,30-28+,36-34+/t45-/m1/s1 > XRZUHOFZIRSWMJ-FBKLORHVSA-N > C47H80NO8P > 818.13 > 817.562155538 > 5 > 137 > 99.10435423523768 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(11E)-icos-11-enoyloxy]propoxy]phosphinic acid > 9.09 > 12.363150412470093 > -7.17 > 0 > 0 > 0 > 1.8688003136083817 > 9.999929336362278 > 134.38000000000002 > 244.83010000000007 > 42 > 0 > 5.52e-05 g/l > 2-aminoethoxy((2R)-2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(11E)-icos-11-enoyloxy]propoxy)phosphinic acid > 0 > PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) $$$$