Mrv1533007131513522D 71 75 0 0 1 0 999 V2000 -2.2488 -1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -2.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4697 -3.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7552 -2.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8974 -2.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0395 -2.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5329 -3.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9803 0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7876 -2.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1081 0.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7043 2.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1816 6.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3843 -1.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0422 -1.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3263 -3.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4684 -3.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6105 -3.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0408 -3.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6118 -3.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1829 -3.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7539 -3.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -3.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1039 -3.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9528 2.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9968 1.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8184 -2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3806 -1.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6246 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8348 -0.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4447 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7552 -3.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8974 -3.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0395 -3.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8184 -3.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1119 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -1.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3559 1.9328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8185 2.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7093 -0.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2301 -0.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 2.3354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5515 0.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9046 -0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2496 2.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 1.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0697 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5226 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2831 2.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9853 3.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4169 3.9209 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9156 3.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 2.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2189 3.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1573 4.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1975 0.3427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2505 -0.0295 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 0.0963 3.2422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5849 1.7675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8989 1.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9457 4.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 5.0525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4696 5.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5697 -0.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1793 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 0.0348 -1.9312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6118 -2.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7539 -2.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 1.7014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2953 1.5401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 4.0294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 2 0 0 0 0 14 2 1 0 0 0 0 18 15 1 0 0 0 0 19 15 1 0 0 0 0 20 16 1 0 0 0 0 21 16 1 0 0 0 0 22 17 1 0 0 0 0 23 17 1 0 0 0 0 25 24 1 0 0 0 0 27 26 1 0 0 0 0 31 3 1 0 0 0 0 31 4 1 0 0 0 0 31 18 1 0 0 0 0 32 5 1 0 0 0 0 32 19 1 0 0 0 0 32 20 1 0 0 0 0 33 6 1 0 0 0 0 33 21 1 0 0 0 0 33 22 1 0 0 0 0 34 7 1 0 0 0 0 34 23 1 0 0 0 0 34 26 2 0 0 0 0 35 8 1 0 0 0 0 36 9 1 0 0 0 0 37 10 1 6 0 0 0 38 11 1 0 0 0 0 39 13 1 0 0 0 0 39 35 2 0 0 0 0 40 14 1 0 0 0 0 40 36 1 0 0 0 0 41 24 1 1 0 0 0 41 37 1 0 0 0 0 42 28 2 0 0 0 0 42 35 1 0 0 0 0 43 29 1 0 0 0 0 43 36 2 0 0 0 0 44 28 1 0 0 0 0 44 37 1 0 0 0 0 45 30 2 0 0 0 0 45 38 1 0 0 0 0 46 29 2 0 0 0 0 46 39 1 0 0 0 0 47 30 1 0 0 0 0 47 40 2 0 0 0 0 48 25 1 0 0 0 0 49 38 2 0 0 0 0 51 50 1 0 0 0 0 52 41 1 0 0 0 0 52 50 2 0 0 0 0 53 49 1 0 0 0 0 53 50 1 0 0 0 0 54 49 1 0 0 0 0 54 51 1 0 0 0 0 51 55 1 1 0 0 0 56 42 1 0 0 0 0 56 46 1 0 0 0 0 57 43 1 0 0 0 0 57 47 1 0 0 0 0 58 44 2 0 0 0 0 58 52 1 0 0 0 0 59 45 1 0 0 0 0 59 53 2 0 0 0 0 60 48 2 0 0 0 0 61 54 2 0 0 0 0 62 55 2 0 0 0 0 63 12 1 0 0 0 0 63 55 1 0 0 0 0 64 27 1 0 0 0 0 64 48 1 0 0 0 0 66 26 1 0 0 0 0 67 32 1 0 0 0 0 68 33 1 0 0 0 0 37 69 1 1 0 0 0 41 70 1 6 0 0 0 51 71 1 6 0 0 0 M CHG 2 57 -1 65 2 M END > FDB016592 > foodb > [Mg++].[H]\C(COC(=O)CC[C@]1([H])\C2=C3/C4=N/C(=C\C5=C(CC)C(C)=C([N-]5)\C=C5/N\C(=C/C(=N2)[C@@]1([H])C)C(C)=C5C=C)/C(C)=C4C(=O)[C@]3([H])C(=O)OC)=C(\C)CCCC([H])(C)CCCC([H])(C)CCCC(C)C > InChI=1S/C55H74N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H2,56,57,58,59,61);/q;+2/p-1/b34-26+;/t32?,33?,37-,41-,51+;/m0./s1 > SYHZSPMCAROBPW-WJQLOWBJSA-M > C55H73MgN4O5 > 894.516 > 893.54258959 > 6 > 138 > 107.9570919198214 > 0 > 1 > 1 > 0 > magnesium(2+) ion (3R,21S,22S)-16-ethenyl-11-ethyl-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,5(26),6,8,10,12,14,16,18,20(23)-decaen-25-ide > 8.49 > 11.296469524412025 > -7.01 > 1 > 6 > 0 > 16.525229661620433 > -1.167561467150258 > 6.918678135670467 > 124.13 > 260.8208 > 22 > 0 > 9.09e-05 g/l > magnesium(2+) ion (3R,21S,22S)-16-ethenyl-11-ethyl-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,5(26),6,8,10,12,14,16,18,20(23)-decaen-25-ide > 0 > FDB016592 > Chlorophyll $$$$