diff options
Diffstat (limited to 'graphics/mcf2graph/mcf_library.mcf')
-rw-r--r-- | graphics/mcf2graph/mcf_library.mcf | 29 |
1 files changed, 23 insertions, 6 deletions
diff --git a/graphics/mcf2graph/mcf_library.mcf b/graphics/mcf2graph/mcf_library.mcf index 2ea49f3b41..b23c8c6611 100644 --- a/graphics/mcf2graph/mcf_library.mcf +++ b/graphics/mcf2graph/mcf_library.mcf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% molecular library file mcf_library.mcf by Akira Yamaji 2022.03.27 +% molecular library file mcf_library.mcf by Akira Yamaji 2022.05.08 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % tag1:var1;tag2:var2;tag3:var3 ..... % first character of line "%" comment out @@ -9,7 +9,7 @@ % Cat = Category %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %============================================================================== -% molecular data for mcf_example.tex EXA=1(155) +% molecular data for mcf_example.tex EXA=1(155) EXA=2(7) %-============================================================================= Cat:biological;EN:Adenine;MW:135.13;EXA:1 + @@ -384,6 +384,14 @@ Cat:biological;EN:Chlorophyll a;MW:893.509;EXA:1 @2,*\^-6,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_ +------------------------------------------------------------------------------ %============================================================================== +Cat:biological;EN:Apigenin;MW:270.24;EXA:- ++ +<30,Ph,3=?6,9=dl,10:O,7://O,@9,\,Ph,{2,6,14}:/OH ++------------------------------------------------------------------------------ +Cat:biological;EN:Luteolin;MW:286.24;EXA:- ++ +<30,Ph,3=?6,9=dl,10:O,7://O,@9,\,Ph,{2,6,14,15}:/OH ++------------------------------------------------------------------------------ Cat:biological;EN:Flavone;MW:222.24;EXA:1 + <30,Ph,3=?6,9=dl,10:O,7://O,9:/Ph, @@ -701,6 +709,15 @@ Cat:synthetic;EN:Melamine;MW:126.12;EXA:1 <30,Ph,{2,4,6}:N,{1,3,5}:/NH2 +------------------------------------------------------------------------------ %============================================================================== +Cat:synthetic;EN:Tartrazine;MW:534.3;EXA:1 ++ +<30,Ph,1:/SO3Na,@4,\,N,!!,N,!,<-12,?5,{-2,-5}=dl,{-2,-3}:N,-1:/COONa,-4:/OH, + @-3,-12,Ph,-3:/SO3Na ++------------------------------------------------------------------------------ +Cat:synthetic;EN:Erythrosine;MW:835.9;EXA:1 ++ +<30,Ph,{3,9}=?6,{8,13,16}=dl,10:O,-2://O,{1,5,12,14}:/I,@7,\,Ph,-1:/COOH,6:/OH ++------------------------------------------------------------------------------ Cat:synthetic;EN:Sudan red 1;MW:248.28;EXA:1 + <30,Ph,1=Ph,4:/OH,@3,\,N,!!,N,!,Ph @@ -965,7 +982,7 @@ Cat:pesticide;EN:Acrinathrin;MW:541.45;EXA:1 <-30,?3,{2^-35,2'^35}:*/_, @1,\,!~dl,!,//O,!,O,!,/CF3,!,CF3,@3,\,//O,!,O,!,/CN,!,Ph,-4:/OPh>rl +------------------------------------------------------------------------------ -Cat:pesticide;EN:Azaconazole;MW:300.139;EXA:1 +Cat:pesticide;EN:Azaconazole;MW:300.139;EXA:- + <30,Ph,{4,6}:/Cl,@3,\,!2,?5,{-2,-4}=dl,{-2,-4,-5}:N,@7,?5,{-1,-4}:O +------------------------------------------------------------------------------ @@ -2019,7 +2036,7 @@ Cat:antibacterial;EN:Sulfatiazole;MW:255.31;EXA:- + <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,?5,{1,3}=dl,2:N,5:S +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Chlopidol;MW:192.039;EXA:1 +Cat:antibacterial;EN:Chlopidol;MW:192.039;EXA:- + <30,Ph,{1,3}:/_,2:N,{4,6}:/Cl,5:/OH +------------------------------------------------------------------------------ @@ -2225,7 +2242,7 @@ Cat:biological;EN:Maitotoxin;MW:3425.86;EXA:2 {6,46,50,53,60,67,74}:*/H^-60, {9,18,85,93,112,139,143,147}:*/_^60`1,{80,88,97,108',115,120,124}:/*_^-60`1, @$6,\,|,!11,60~dr,-60,60,OH,{2',7,10}:*/OH,{1,3,8'}:*/_,11://_,12:/_, - @6,\,O,30,SOO,30,ONa, - @$36,-45~zf,O,30,SOO,30,ONa, + @6,\,O,30,SO3Na, + @$36,-45~zf,O,30,SO3Na, @$150,\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl +------------------------------------------------------------------------------ |