%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % Molecular Coding Format for mcf_example.tex by Akira Yamaji 2015.7.24 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph.mf; %------------------------------------------------------------------------- font_wd#:=35mm#; font_ht#:=25mm#; max_bond_width:=0.15; %------------------------------------------------------------------------- sw_logout:=1; sw_frame:=0; sw_atom_frame:=0; sw_numberB:=0; sw_expand:=0; sw_start_vector:=0; %%%%sw_checklist:=1; %%%%sw_MOLfile:=1; %********************************************************************** beginfont("EN:Acetamiprid") MCf(^^30, Ph,4\,!,NH,!,!~dr,N,!,CN ) endfont %*********************************************************************** beginfont("EN:Imidacloprid") MCf(^^30, Ph1,1:N,6:/Cl,3\,!,?5,1:N,3:NH,-4\\,!,NO2 ) endfont %*********************************************************************** beginfont("EN:Ethofenprox") MCf(^^30, Ph,5\,!,Ph,-4\,O,!3,/Me^35,/Me^-35,!,Ph,-3:/OEt ) endfont %*********************************************************************** beginfont("EN:Thiamethoxam") MCf(^^30, ?6,@(4,6)N,2:O,6:/Me,5\\,!,NO2,4\,!,?5,$(1,3)d,3:N,5:S,4:/Cl ) endfont %*********************************************************************** beginfont("EN:Tebufenozide") MCf(^^30, Ph,6:/Et,3\,//O,!,NH,!,N,/tBu,!,//O,!,Ph,@(3,5)/Me ) endfont %*********************************************************************** beginfont("EN:Pyridaphenthion") MCf(^^-30, !2,O,!,P,//S,/OEt^160>rl,!,O,!,?6,$(1,5)dl,@(2,3)N,4://O,3:/Ph ) endfont %*********************************************************************** beginfont("EN:Fenitrothion") MCf(^^30, !,O,!,P,//S,/OMe^160,!,O,!,Ph,3:/Me,4:/NO2 ) endfont %*********************************************************************** beginfont("EN:Permethrin") MCf( ^^-30, ?3,2^-35:*/Me,2^35:/*Me,1\,!~dl,/Cl,!,Cl, 3\,//O,!,O,!2,Ph,-4\>rl,O,!,Ph ) endfont %*********************************************************************** beginfont("EN:Bensultap") MCf(^^30, Ph,4\,SOO,!,S,!2,N,/Me,!2,S,!,SOO,!,Ph ) endfont %*********************************************************************** beginfont("EN:Azoxystorbin") MCf(^^30, Ph,2:/OH,3\,O,!,Ph,@(4,6)N,-4\,O,!,Ph,-5\,/OMe,!,//O,!,O,! ) endfont %*********************************************************************** beginfont("EN:Isoprothiolane") MCf(^^30, !,/Me,!,O,!,//O,!2,//O,!,O,!,/Me,!,-5\\,?5,@(2,5)S ) endfont %*********************************************************************** beginfont("EN:Iprodion") MCf(^^18, ?5,@(3,5)N,2://O,3\,Ph,@(3,5)/Cl,#5\,!,NHiPr ) endfont %*********************************************************************** beginfont("EN:Etridiazole") MCf(^^18, ?5,$(1,3)dl,@(2,4)N,5:S,1:/OEt,3:/CCl3,1:/Me ) endfont %*********************************************************************** beginfont("EN:Oxine-Copper") MCf( Ph,4:N,-2=Ph,-4\,O,-60,^^90,Cu,-90,O,60,Ph,-2=Ph,4:N, #4*,&(#12)~vf,#23*,&(#12)~vf ) endfont %*********************************************************************** beginfont("EN:Captan") MCf(^^0, ?6,6=d,-4=?5,2:N,@(1,3)//O,#8\,S,!,CCl3 ) endfont %*********************************************************************** beginfont("EN:Chlorothalonil") MCf(^^30, Ph,@(1,2,4,6)/Cl,@(3,5)/CN ) endfont %*********************************************************************** beginfont("EN:Tetraconazole") MCf(^^-6, ?5,$(2,5)d,@(1,2,4)N,4\,!4,4:O,/F^35,/F^-35,!,CF2,#7\,Ph,@(4,6)/Cl ) endfont %*********************************************************************** beginfont("EN:Endosulfan"); MCf(^^30, ?6`1.3,3=??7,2*,210~wf`1.45,&5~wb,6=d, @(1,2,5,6,12^-210,12^-150)/Cl,@(8,10)O,9:S,9://O ) endfont; %*********************************************************************** beginfont("EN:Flutolanil") MCf(^^30, Ph,2:/CF3,3\,//O,!,NH,!,Ph,-1:/OiPr ) endfont %*********************************************************************** beginfont("EN:Propiconazole") MCf(^^-6, ?5,$(2,5)d,@(1,3,4)N,4\,!2,Ph,@(4,6)/Cl,#7\,?5,@(2,5)O,-3^24:/Bu ) endfont %*********************************************************************** beginfont("EN:Pencycuron") MCf(^^30, Ph,6:/Cl,3\,!,N,/?6,!,//O,!,NH,!,Ph ) endfont %*********************************************************************** beginfont("EN:Asulam") MCf(^^30, Ph,6:/NH2,3\,SOO,!,NH,!,//O,!,O,! ) endfont %*********************************************************************** beginfont("EN:Oxadixyl") MCf(^^30, Ph,@(1,3)/Cl,4\,?5,2=d,@(1,2)N,4:O,5://O,-3:/tBu,#6\,O,!2,!~tm ) endfont %*********************************************************************** beginfont("EN:Oxaziclomefone") MCf(^^30, ?6,4:N,2:O,1:/Me,5://O,6:/Ph,4\,/Me^35,/Me^-35,!,Ph,@(3,5)/Cl ) endfont %*********************************************************************** beginfont("EN:Cafenstrole") MCf(^^30, Ph,@(2,4,6)/Me,3\,SOO,!,?5,$(2,5)d,@(2,4,5)N,-2\,!,N,/Me,!2 ) endfont %*********************************************************************** beginfont("EN:Cyclosulfamuron") MCf(^^30, Ph,5\,//O,!,?3,#4\,NH,!,SOO,!,NH,!,//O,!,NH,!,Ph,@(2,6)N,@(3,5)/OMe ) endfont %*********************************************************************** beginfont("EN:Napropamide") MCf(^^-30, Ph,-4=Ph,#10\,O,!,/Me^35,/Me^-35,!,//O,!,N,/Et,! ) endfont %*********************************************************************** beginfont("EN:Pyributicarb") MCf(^^30, Ph,5:/tBu,3\,//O,!,S,!,N,/Me,!,Ph,@(5,6)/Me,3:/OMe ) endfont %*********************************************************************** beginfont("EN:Propyzamide") MCf(^^30, Ph,@(1,5)/Cl,3\,//O,!,NH,!,/Me^35,/Me^-35,!,!~tm ) endfont %*********************************************************************** beginfont("EN:Pendimethalin") MCf(^^30, Ph,@(1,2)/Me,6:/Cl,@(3,5)/NO2,4\,NH,!,/Et,!2 ) endfont %*********************************************************************** beginfont("EN:Benfluralin") MCf(^^30, Ph,@(1,3)/NO2,5:/CF3,2\,N,/Et,!4 ) endfont %*********************************************************************** beginfont("EN:Trinexapac-ethyl") MCf(^^30, ?6,@(2,4)//O,6:/COOEt,3\\,/OH,!,?3 ) endfont %*********************************************************************** beginfont("EN:Buprofezin") MCf(^^-30, ?6,@(1,5)N,3:S,6://O,5:/tBu,4\\,N,!,tBu,1:/Ph ) endfont %*********************************************************************** beginfont("EN:Tricyclazole") MCf(^^30, Ph,2:/Me,-4=?5,1:N,3:S,-3=?5,$(2,4)d,@(2,3)N ) endfont %*********************************************************************** beginfont("EN:Phthalide") MCf(^^30, Ph,@(1,2,5,6)/Cl,-4=?5,2:O,3://O ) endfont %*********************************************************************** beginfont("EN:Probenazole") MCf(^^12, Ph,3:d,-4=?5,1:SOO,2:N,3\,O,!2,!~dr ) endfont %*********************************************************************** beginfont("EN:Esprocarb") MCf(^^30, Ph,3\,!,S,!,//O,!,N,/Et,!,/iPr,! ) endfont %*********************************************************************** beginfont("EN:Simetryn") MCf(^^30, Ph,@(2,4,6)N,5:/SMe,@(1,3)/NHEt ) endfont %*********************************************************************** beginfont("EN:Bromobutide") MCf(^^30, Ph,3\,!,NH,!,//O,!,/Br,!,/Me^35,/Me^-35,!,tBu ) endfont %*********************************************************************** beginfont("EN:Mefenacet") MCf(^^12, Ph,-4=?5,3=d,3:N,1:S,2\,O,!2,//O,!,N,/Me,!,Ph ) endfont %*********************************************************************** beginfont("EN:Rifampicin") MCf(^^30, Ph,6:/Me^30,5:/OH,-6=?5,1:O,3://O,2:/*Me^60,#3=?6,@(2,4)d,@(1,4)/OH, {,``1,-2\,NH,60,//O,-60,/Me,60~dl,60,60~dl,-60, */Me,60,/*OH,-60,/*Me,60,/*OH,60,*/Me^30,-60, 60,/*Me^30,-53,/*OMe,66,-53~dl,66`1.2,O,},&(#8), #11\,!~dr,N,!,?6,@(1,4)N,4:/Me ) endfont %*********************************************************************** beginfont("EN:Wortmanin") MCf(^^30, ?6,$(-4,-2)??6,-4=??5,(2,7)=??5[3], 6:O,1://O,$(7,10)dl,8://O,17://O,-3=d,-1:O, @(4,12)*/Me^60,11:/*H^-60, #5\*,60,O,!,#14\*^-25,//O,!,O,! ) endfont %*********************************************************************** beginfont("EN:Ampicillin") MCf(^^45, ?4,-3=??5,2:N,7:S, @(3^45,4^-45)/*H,1://O^15,5:/*COOH^-18,@(6^35,6^-35)/Me, ,4\^75,NH,!,//O,!,NH,!,Ph, ) endfont %*********************************************************************** beginfont("EN:Validamycin") MCf(^^30, ?6,@(5,6)/OH,3\,-60,OH, #4\,O,-60,?6,2:O,@(3,4,5,6)/OH, #1\,NH,!,?6,2=d,@(4,5,6)/OH,-4\,!,OH ) endfont %********************************************************************** beginfont("EN:Oceltamivir") MCf(^^30, ?6,3=dl,1:/NH2,3:/COOEt,6:/NHCOMe,5\~zf,O,!,/Et,!2 ) endfont %*********************************************************************** beginfont("EN:Etyprostontromethamine") MCf(^^0, ?5,@(2,5)/*OH, #3*\^6,!~dl,!3,O,0,Ph,#8*,?5,@(1,4)O,#4\*^-6,!,30~dl,30,!3,COOH ) endfont %*********************************************************************** beginfont("EN:Chlorophyll a") MCf(^^54, {,``1,?5,$(2,5)dl,4:N,3\,54~dl,?5,$(2,4)dl,5:N, -2\,54~dl,?5,2=d,5:N,-2\~dl,54,?5,5=d,5:N,-2\~dl,&(#5), -1*,24,/*COOMe^15,72,//O,&(#1),}, @(2,9,15,20~zf)/Me,8:/Et,14\,!~dr, #4\`1.45,Mg,&17,-1*,&11~vb,-1*,&23~vb, #21*,-6~wf,!2,//O,!,O,!2,!~dl,!13,@(1,5,9,13)/Me ) endfont %********************************************************************** beginfont("EN:Gibberellin"); MCf(^^12, ?6`1.3,3=??5,9=??7,12\^160`1.6,&8, 4\^155~zf`-1.2,O,55,//O^180`1,&(#2)~zb, 3=dr,11=wf,13=wb,7:/COOH,11://Me,1:*/OH,12:/*OH,2:*/Me, @(3^-60,9^60)*/H) endfont; %********************************************************************** beginfont("EN:Cholesterol") MCf(^^30, ?6,$(-4,-2)??6,-4=??5,7=dl, 1:*/OH,@(4,12)*/Me^60, 10:/*H^180,@(11,-1)/*H^-60,9:*/H^60, -1\^17,/*Me,!4,/Me,! ) endfont %*********************************************************************** beginfont("EN:Lycorine") MCf(^^30, Ph,-4=??6,-2=??6,6=??5,(9,12)=??5[3],13=dl,8:N,@(15,17)O, 9:/*H^180,10:*/H^60,13:*/OH,14:/*OH ) endfont %*********************************************************************** beginfont("EN:Tetrodotoxine") MCf({,``1,^^60,-90,60,-30`1.15,150,60,&(#1),#3*,-135,60,-30`1.15,150,&(#4), #10\,O,60`1.33,60,&(#3)~ov,#8*,-15~ov,O,&(#12),},#9*,45,-60,OH,1^120://NH, @(5~zf^-15,7,9^-75,12,13~zf)/OH,@(2,6^180)NH ) endfont %*********************************************************************** beginfont("EN:beta-Carotene") MCf(^^30, ?6,3=d,@(3,5^35,5^-35)/Me, 4\,,!18,$(1,3,5,7,9,11,13,15,17)dr,@(3,7,12,16)/Me, ?6,6=d,@(6,2^35,2^-35)/Me ) endfont %********************************************************************** beginfont("EN:alfa-Tocopherol") MCf(^^30, Ph,3=??6,7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH, 8\,!12,@(4,8)/*Me,12:/Me ) endfont %********************************************************************** beginfont("EN:Qercetin") MCf(^^30, Ph,3=??6,9\,ph,9=dl,10:O,7://O,@(2,6,8,13,14)/OH ) endfont %*********************************************************************** beginfont("EN:Limonin") MCf(^^30, {,?6,-3=?6,-4=?6,3:O,-5=?3,1:O,1=wf,2=wb,#6=?5,2:O,-4=?6,2:O,-5=wf, #14\*,?5,$(1,4)dl,3:O,},@(3,12,21)//O, @(4~wf^60,8~zf^60,18^35,18^-35)/Me,@(1^60,5^180,16^60)/*H ) endfont %********************************************************************** beginfont("EN:Cromolyn") MCf(^^30, Ph,-1=?6,3:d,-4:O,-1://O,-3:/COOH, #2\,O,!2,/OH,!2,O,60,Ph,-5=?6,3=d,-1:O,-4://O,-2:/COOH ) endfont %********************************************************************** beginfont("EN:Emetine") MCf(^^30, Ph,$(-4,-4)??6,8:N,@(1,6)/OMe,-2:/*Et,@(7^-60,12^-60)/*H, -3\,!~zb,^^-60,?6,5=d,2:NH,-6^-60:*/H,-2=?6,$(2,4)dl ) endfont %*********************************************************************** beginfont("EN:Colchicine") MCf(^^30, Ph,@(1,2,6)/OMe,-4=?7,-5=?7,$(-1,-4,-6)dl,-2://O,-3:/OMe, #9\,NH,!,//O,! ) endfont %*********************************************************************** beginfont("EN:Caffeine") MCf(^^30, ?6,3=d,@(2,6)N,@(2,6)/Me,@(1,5)//O,-4=?5,2=d,@(1,3)N,3:/Me ) endfont %********************************************************************** beginfont("EN:Acronycine") MCf(^^30, Ph,-4=?6,1:N,4://O,,1:/Me,-3=Ph2,-1:/OMe, -4=?6,2=d,4:O,-2^-35:/Me,-2^35:/Me ) endfont %*********************************************************************** beginfont("EN:Ibotenic acid") MCf(^^18, ?5,4=d,3:O,2:NH,1://O,4\^-24,/NH2,!,COOH ) endfont %********************************************************************** beginfont("EN:Piperine") MCf(^^30, Ph,-1=?5,@(1,3)O,#4\,!~dr,!,!~dr,!,//O,!,?6,1:N ) endfont %*********************************************************************** beginfont("EN:Febrifugine") MCf(^^30, Ph,-4=?6,2=d,@(1,3)N,4://O,#9\,!,//O,!,!~zf,?6,2:NH,-1:*/OH ) endfont %*********************************************************************** beginfont("EN:Mitomycine C") MCf(^^30, ?6,$(3,6)dl,@(2,5)//O,1:/Me,-4=?5,1:N,#6:/NH2,-3=?5,-2=?3,-1=wb,-2=wf,-1:NH, #8:/*OMe^35,#9\`1^17.9,!,O,!,//O,!,NH2 ) endfont %*********************************************************************** beginfont("EN:Podophyllotoxin"); MCf(^^0, {,?5,@(2,5)O,-3=Ph2,-3=Ph1,-3=?5,2:O,},-1=wb,-3://O, 10\*,Ph,@(-2,-3,-4)/OMe,#13:/*OH,@(#11~wf^-60,#12~zf^60)/H ) endfont; %*********************************************************************** beginfont("EN:Warfarin"); MCf(^^30, Ph,3=??6,10:O,7:/OH,9://O,8\,/Ph`1,60,!,//O,! ) endfont; %*********************************************************************** beginfont("EN:Genistein"); MCf(^^30, Ph,3=??6,10:O,@(2,6)/OH,9://O,8\,Ph,-3:/OH ) endfont; %*********************************************************************** beginfont("EN:Baicalein"); MCf(^^30, Ph,3=??6,10:O,@(1,2,6)/OH,9://O,8\,Ph ) endfont; %*********************************************************************** beginfont("EN:Baicalein"); MCf(^^30, Ph,3=??6,9=d,10:O,@(1,2,6)/OH,7://O,-2\,Ph ) endfont; %*********************************************************************** beginfont("EN:Reserpine"); MCf(^^30, Ph,-4=??5,-2=??6,-4=??6,-3=??6,9=dl,11:N,7:NH,10:*/H^-60, @(15^-60,16^60)/*H, #20*\,O,!,//O,!,Ph,@(-2,-3,-4)/OMe,@(#1,#19~zf>rl)/OMe, #18*\,//O,!,O,! ) endfont; %*********************************************************************** beginfont("EN:Rotenone"); MCf(^^-60, ?5,$(-3,-2,-3,-4)??6,$(7,9,-2,-4)dl,$(3,17)dr, @(2,13,16)O,10://O,@(11^-60,12^60)*/H, @(-2,-3)/OMe,1*\,/Me,!~dl ) endfont; %*********************************************************************** beginfont("EN:Pyrethrin I"); MCf(^^30, ?3,@(3^35~wf,3^-35~zf)/Me,1*\,!~dl,iPr, 2\*,//O,!,O,-36~zb,?5,-2=d,-1:/Me,-3://O, -2\,!4,$(-1,-3)dl ) endfont; %*********************************************************************** beginfont("EN:Erythromycin"); MCf(^^30, {,``1,^^-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,},&1, 14:O,13:/*Et,@(1,9)//O,@(2,10)*/Me,@(4,6^-35,8,12^35)/*Me, @(6^35,11,12^-35)*/OH, #3\*,O,30,?6`.7,2:O,@(3,5^35)/Me,4:/OH,5^-35:/OMe, #5\*^30`1.7,O,!,?6`.7,6:O,5:/Me,2:/OH,3:/NMeMe ) endfont; %********************************************************************** beginfont("EN:Paclitaxel") MCf(^^0, {,?6,5=d,3*,{,``1,36,45,45,45,45,},&(#5),#9=?6,-4=?4,},-1=wb,-3=wf,-1:O, @(4^35,4^-35,6)/Me,@(3^-60,15)*/OH,8:/*H^-60,9:*/Me^60,10://O, #1\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, #7\*,O,-45,//O,60,Ph, #11*\,O,-60,//O,60, #12\*^-15,O,60,//O,-60 ) endfont %********************************************************************** beginfont("EN:Mevastatin") MCf(^^30, ?6,2=d,4:*/H^60,,3=?6,2=d,9:*/Me, #10*\,!,60~wb,?6,6:O,-2://O,-4:/*OH, #5\*,O,60,//O,!,*/Me,!2 ) endfont %*********************************************************************** beginfont("EN:Sesamine") MCf(^^54, ?5,1=??5,@(4,7)O,@(1^-54,2^54)*/H, #5*\^-12,Ph,-3=?5,@(-1,-3)O, #8*\^-12,Ph,-3=?5,@(-1,-3)O ) endfont %********************************************************************** beginfont("EN:Morphine") MCf(^^30, Ph,2=??6,-4=??6,(#1,#12)=??5[2],-1:O,-1=zb, 7*,60~wf`0.75,70~ov`1.3,45,N,/Me,&9~wb, 15=d,6:/OH,8^180:*/H,12:/*OH ) endfont %********************************************************************** beginfont("EN:Capsaicin") MCf(^^30, Ph,1:/OH,6:/OMe,4\,!,NH,!,//O,!8,-3=dr,-1:/Me ) endfont %*********************************************************************** beginfont("EN:Quinine") MCf(^^30, Ph,3=ph,7:N,6:/OMe, 10\,*/OH,/H~zf^-60,!, ?6,2:N,1:*/H^60,4*\,!~dr,2*,165~zf,60,&5~zb ) endfont %*********************************************************************** beginfont("EN:Atoropin") MCf(^^-30, O,!,//O,!,!,Ph, #1\~zb^-120,?7,-2*\^-170`1.2,N,/Me,&-5~wb, #3\~wv,!,OH ) endfont %*********************************************************************** bye