Mrv1572004261603032D 69 73 0 0 0 0 999 V2000 6.1839 1.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3137 3.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0638 1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3493 3.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4914 3.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6335 3.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2046 0.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9092 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0517 2.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8119 -0.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0084 -1.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8074 -5.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3245 1.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4463 2.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9204 2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0625 2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2046 2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6348 1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2059 1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7769 1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3480 1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9191 1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4901 1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7098 -1.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6891 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7196 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2453 0.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3123 -1.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3012 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4871 0.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3493 2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4914 2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6335 2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4901 1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0681 -0.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7287 1.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3165 -1.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1557 -1.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7891 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9523 1.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5401 -2.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4159 -0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2339 1.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8217 -2.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3854 -0.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9645 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9777 0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0041 -0.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2693 -2.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4982 -2.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9571 -3.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5655 -2.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0732 -2.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1976 -3.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1439 -4.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7338 -0.1826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7698 0.5215 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 3.3576 -3.0594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1449 -1.1963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0063 -0.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -3.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9082 -4.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6113 -4.9504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 0.5337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6589 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 -0.8691 -0.0907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0824 -2.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 1.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3182 0.2683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 2 0 0 0 0 14 2 2 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 0 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 0 0 0 0 41 37 2 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 55 51 1 0 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 28 1 0 0 0 0 68 29 1 0 0 0 0 69 30 1 0 0 0 0 M CHG 2 57 -1 65 2 M END > CHEM032499 > chemdb > [Mg++].[H]\C(COC(=O)CCC1=C(C)C-2=N\C\1=C1/C(C(=O)OC)C(=O)C3=C(C)\C(\N=C13)=C([H])\C1=C(C=C)C(C)=C([N-]1)\C([H])=C1/N/C(=C\-2/[H])C(C)=C1C=C)=C(/C)CCCC(C)CCCC(C)CCCC(C)C > InChI=1S/C55H70N4O5.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;/h13-14,26,28-33,51H,1-2,15-25,27H2,3-12H3,(H2,56,57,58,59,61);/q;+2/p-1/b34-26-,42-28-,43-29-,44-28+,45-30-,46-29-,47-30-,52-50+; > AQBYZMGVSPWCTH-KAOGVYTJSA-M > C55H69MgN4O5 > 890.484 > 889.51128946 > 6 > 134 > 102.0066589633245 > 0 > 1 > 1 > 0 > magnesium(2+) ion 11,16-diethenyl-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(2Z)-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),21-undecaen-25-ide > 14.734359180328426 > 1 > 6 > -1 > 16.010949235550328 > -0.6914182763985997 > 3.77860230814344 > 124.13 > 261.3859 > 22 > 0 > magnesium(2+) ion 11,16-diethenyl-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(2Z)-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),21-undecaen-25-ide > 0 > Protochlorophyll a $$$$