Mrv1572004261614462D 72 71 0 0 1 0 999 V2000 14.6471 -4.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -5.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5381 -5.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1559 -4.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1918 -5.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9186 -4.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0829 -6.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0276 -3.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7366 -7.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7903 -3.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4993 -6.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8992 -2.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1530 -7.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6619 -2.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9157 -6.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7709 -1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0247 -6.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5336 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7874 -5.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8963 -4.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2426 -4.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3516 -3.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1873 -1.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6978 -3.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9351 -3.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2814 -2.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6037 -1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5187 -3.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3664 -1.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8650 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0202 -2.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9739 -1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7829 -1.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3202 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8918 -0.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5575 -1.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6545 -0.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6941 -4.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8764 -4.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4873 -1.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6157 -2.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7247 -1.3660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9038 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3082 -1.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0087 -5.0594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0127 -0.4225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1993 -1.9951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9263 -3.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6351 -4.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1411 -1.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5618 -3.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8530 -2.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0709 -0.8628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7441 -3.3161 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.9545 -5.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3202 -6.8388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6083 -5.8952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2455 -2.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0441 -8.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3157 -2.8758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3710 -5.5807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 -0.4225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4411 -6.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4799 -4.7629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1143 -3.3161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0784 -2.5612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8262 -4.2597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3904 -2.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1023 -3.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7366 -1.6177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3784 -1.8693 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 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 2 0 0 0 0 23 18 2 0 0 0 0 24 22 1 0 0 0 0 25 24 1 0 0 0 0 26 23 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 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 2 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 40 39 1 0 0 0 0 43 41 1 0 0 0 0 43 42 1 0 0 0 0 44 37 1 0 0 0 0 45 38 1 0 0 0 0 46 39 1 0 0 0 0 47 44 2 0 0 0 0 48 45 2 0 0 0 0 51 41 1 0 0 0 0 51 44 1 0 0 0 0 52 40 1 0 0 0 0 53 42 1 0 0 0 0 43 54 1 1 0 0 0 54 45 1 0 0 0 0 55 49 1 0 0 0 0 55 50 2 0 0 0 0 55 52 1 0 0 0 0 55 53 1 0 0 0 0 56 5 1 0 0 0 0 57 7 1 0 0 0 0 58 11 1 0 0 0 0 59 12 1 0 0 0 0 60 13 1 0 0 0 0 61 14 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 21 1 0 0 0 0 66 22 1 0 0 0 0 67 23 1 0 0 0 0 68 25 1 0 0 0 0 69 27 1 0 0 0 0 70 31 1 0 0 0 0 71 33 1 0 0 0 0 43 72 1 1 0 0 0 M END > CHEM039005 > 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)OC[C@]([H])(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,25,27,31,33,43H,3-4,6,8-10,15-16,20,24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b7-5+,13-11+,14-12+,19-17+,22-21+,23-18+,27-25+,33-31+/t43-/m1/s1 > AULXINVNYCXEKZ-IAMPDKEVSA-N > C45H74NO8P > 788.06 > 787.515205345 > 5 > 129 > 90.94741745401423 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid > 8.27 > 11.112091425803424 > -7.02 > 0 > 0 > 0 > 1.8688003136539155 > 9.999929336362278 > 134.38000000000002 > 236.74470000000008 > 39 > 0 > 7.47e-05 g/l > 2-aminoethoxy((2R)-3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy)phosphinic acid > 0 > PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) $$$$