Mrv1533005141513012D 43 48 0 0 0 0 999 V2000 7.1885 1.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4310 2.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7692 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9411 2.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4856 1.3946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7691 0.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4384 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7341 -0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9266 -0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6782 -1.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -1.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5809 -0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2641 0.1318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7943 -0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5665 0.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0426 1.3947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5872 2.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7591 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7591 0.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0898 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1729 -0.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4964 -0.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2488 -0.4665 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4133 -1.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0972 2.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8149 2.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5809 3.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8707 3.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6575 3.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9473 3.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2848 2.5954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7133 2.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1348 4.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3933 4.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7373 5.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2641 1.3946 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 2.3731 -1.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7175 -2.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2405 -3.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 -3.9145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4191 -3.0884 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.1607 -1.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 3 7 2 0 0 0 0 7 8 1 0 0 0 0 6 9 2 0 0 0 0 9 10 1 4 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 10 14 2 0 0 0 0 13 15 2 0 0 0 0 15 16 1 4 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 16 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 19 26 1 0 0 0 0 27 18 1 4 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 28 32 1 0 0 0 0 33 31 1 4 0 0 0 4 33 2 0 0 0 0 30 34 1 0 0 0 0 29 35 1 0 0 0 0 35 36 2 0 0 0 0 17 37 1 0 0 0 0 5 37 1 0 0 0 0 12 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 11 43 1 0 0 0 0 M CHG 2 24 -1 42 -1 M END > NP0339745 > NP-MRD > CC1=C(CCC([O-])=O)C2=CC3=C(CCC([O-])=O)C(C)=C4C=C5N=C(C=C6N([Mg]N34)C(=CC1=N2)C(C)=C6C=C)C(C)=C5C=C > InChI=1S/C34H34N4O4.Mg/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-4 > REJJDEGSUOCEEW-UHFFFAOYSA-J > C34H30MgN4O4 > 582.944 > 582.21284432 > 6 > 73 > 66.23271282613344 > 0 > 0 > -2 > 0 > 3-[5-(2-carboxylatoethyl)-14,19-diethenyl-4,10,15,20-tetramethyl-21,23,24,25-tetraaza-22-magnesahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-9-yl]propanoate > 4.23 > 7.070772989903021 > -3.96 > 1 > 6 > -2 > 4.392426115085314 > 3.8204921221031887 > 2.980979105812675 > 115.9 > 186.70680000000002 > 8 > 0 > 6.83e-02 g/l > 3-[5-(2-carboxylatoethyl)-14,19-diethenyl-4,10,15,20-tetramethyl-21,23,24,25-tetraaza-22-magnesahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-9-yl]propanoate > 0 > NP0339745 > Mg-protoporphyrin $$$$