Mrv1572004261613392D 70 69 0 0 1 0 999 V2000 -13.5342 -7.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3659 -3.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8805 -6.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 -4.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1178 -6.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8212 -5.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4640 -6.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1674 -5.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7013 -6.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -6.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0476 -6.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6226 -6.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2849 -6.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8599 -6.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6312 -6.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2062 -7.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7401 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4435 -6.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0864 -4.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3346 -6.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1954 -3.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5719 -5.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5416 -3.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4629 -4.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7789 -3.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -4.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1252 -3.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0077 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6614 -3.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7088 -3.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5525 -2.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9461 -3.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7898 -1.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2923 -2.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1361 -2.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5296 -3.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3734 -2.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2903 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6048 -5.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4595 -2.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4122 -3.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3032 -2.8175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8759 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 -2.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7935 -6.7288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9849 -1.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8286 -3.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -4.8765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3928 -5.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1132 -3.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1016 -4.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1748 -3.9498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9569 -2.3142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2838 -4.7676 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.5838 -5.4595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4047 -5.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1566 -5.4595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7316 -7.7870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1760 -7.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 -5.8370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5028 -4.9563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7898 -7.3467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3237 -5.0821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9883 -5.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6506 -2.6288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0281 -4.1923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6700 -4.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8793 -4.7047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3505 -3.3207 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 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 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 2 0 0 0 0 26 24 2 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 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 6 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 6 1 0 0 0 0 57 8 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 20 1 0 0 0 0 66 23 1 0 0 0 0 67 24 1 0 0 0 0 68 25 1 0 0 0 0 69 26 1 0 0 0 0 43 70 1 6 0 0 0 M END > CHEM038687 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCC(=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/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,43H,3-5,7,9-10,15-16,21-22,27-42,46H2,1-2H3,(H,49,50)/b8-6+,13-11+,14-12+,19-17+,20-18+,25-23+,26-24+/t43-/m1/s1 > KZUIZVKIOIETOF-ZCVIJVRESA-N > C45H76NO8P > 790.076 > 789.530855409 > 5 > 131 > 92.62144783980962 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-2-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]-3-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]propoxy]phosphinic acid > 8.57 > 11.474013082470092 > -7.03 > 0 > 0 > 0 > 1.8688003136581992 > 9.999929336362278 > 134.38000000000002 > 235.62810000000007 > 40 > 0 > 7.45e-05 g/l > 2-aminoethoxy((2R)-2-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]-3-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]propoxy)phosphinic acid > 0 > PE(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) $$$$