Mrv2104 05272302382D 45 51 0 0 0 0 999 V2000 4.5617 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7868 -0.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9404 -0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6946 -1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1959 -1.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8698 -1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1434 -1.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3521 -2.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3425 -1.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2499 -1.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -0.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0607 0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8416 0.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3763 -0.4900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 0.9463 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9220 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4295 -2.3908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7108 -1.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5179 -1.1731 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 -2.8939 -1.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7032 -2.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0188 -3.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5214 -2.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9294 -0.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7525 -0.2235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3764 0.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8922 1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4819 1.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0704 0.4297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2676 0.0531 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 1.6057 -0.3235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2674 0.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0342 0.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2456 1.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 2.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8893 3.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4485 2.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2155 3.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 4.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0286 2.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 1.4228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8199 1.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6234 -0.1826 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 4 6 2 0 0 0 0 7 6 1 4 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 11 17 1 0 0 0 0 17 18 2 0 0 0 0 8 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 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 21 24 2 0 0 0 0 20 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 3 34 2 0 0 0 0 35 34 1 4 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 39 42 1 0 0 0 0 42 43 2 0 0 0 0 36 43 1 0 0 0 0 44 42 1 4 0 0 0 30 44 2 0 0 0 0 6 33 1 0 0 0 0 31 45 1 0 0 0 0 27 45 1 0 0 0 0 19 45 2 0 0 0 0 M CHG 2 16 -1 20 -1 M END > NP0339895 > NP-MRD > COC(=O)[C-]1C(=O)C2=C(C)C3=CC4=NC(=CC5=C(C=C)C(C)=C6C=C7N=C(C(CCC([O-])=O)C7C)C1=C2N3[Mg]N56)C(C)=C4C=C > InChI=1/C35H33N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,17,21H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q-1;+2/p-3 > UNSKJTNUDHVNJT-UHFFFAOYNA-K > C35H30MgN4O5 > 610.954 > 610.20775894 > 6 > 75 > 68.05028837985829 > 1 > 0 > -2 > 0 > 8-(2-carboxylatoethyl)-14,19-diethenyl-5-(methoxycarbonyl)-9,13,18,25-tetramethyl-4-oxo-1,24,26,27-tetraaza-23-magnesaheptacyclo[10.10.2.1^{3,22}.1^{7,10}.1^{17,20}.0^{2,6}.0^{15,24}]heptacosa-2(6),3(25),7(27),10,12,14,16,18,20(26),21-decaen-5-ide > 4.774948156244726 > 1 > 7 > -1 > 11.70989928267725 > 3.6436095935385913 > 4.447378697440226 > 119.14 > 178.446 > 7 > 0 > 8-(2-carboxylatoethyl)-14,19-diethenyl-5-(methoxycarbonyl)-9,13,18,25-tetramethyl-4-oxo-1,24,26,27-tetraaza-23-magnesaheptacyclo[10.10.2.1^{3,22}.1^{7,10}.1^{17,20}.0^{2,6}.0^{15,24}]heptacosa-2(6),3(25),7(27),10,12,14,16,18,20(26),21-decaen-5-ide > 0 > NP0339895 > divinylchlorophyllide a $$$$