summaryrefslogtreecommitdiff
path: root/graphics/mcf2graph/mcf_data_base.mcf
diff options
context:
space:
mode:
authorNorbert Preining <norbert@preining.info>2022-01-18 03:01:07 +0000
committerNorbert Preining <norbert@preining.info>2022-01-18 03:01:07 +0000
commit42225b2641eab592f67f238c364b237ee036bf0a (patch)
tree80da1bff81f487c45384ea40a060c77a372583dd /graphics/mcf2graph/mcf_data_base.mcf
parenta98801f61d66bae07d8786d2891bed0bece7d96e (diff)
CTAN sync 202201180301
Diffstat (limited to 'graphics/mcf2graph/mcf_data_base.mcf')
-rw-r--r--graphics/mcf2graph/mcf_data_base.mcf72
1 files changed, 62 insertions, 10 deletions
diff --git a/graphics/mcf2graph/mcf_data_base.mcf b/graphics/mcf2graph/mcf_data_base.mcf
index 40dfc81af3..6c7897a6ff 100644
--- a/graphics/mcf2graph/mcf_data_base.mcf
+++ b/graphics/mcf2graph/mcf_data_base.mcf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular data base file mcf_data_base.mcf by Akira Yamaji 2022.01.02
+% molecular data base file mcf_data_base.mcf by Akira Yamaji 2022.01.17
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line "%" comment out
@@ -422,8 +422,8 @@ Cat:biological;EN:Cromolyn;MW:468.37;EXA:1
+------------------------------------------------------------------------------
Cat:biological;EN:Emetine;MW:480.649;EXA:1
+
-<30,Ph,{-4,-4}=?6,8:N,{1,6}:/O!,-2:/*!,{7^-60,12^-60}:/*H,
- @-3,\,!~zb,<-60,|,?6,5=dl,2:NH,-6^-60:*/H,|,-2=?6,{2,4}=dl,{-2,-3}:/O!
+<30,Ph,{-4,-4}=?6,8:N,{1,6}:/O!,-2:/*!,{7^-60,12^-60}:/*H,
+ @-3,\,!~zb,<-60,|,?6,5=dl,2:NH,-6^-60:*/H,|,-2=?6,{2,4}=dl,{-2,-3}:/O!
+------------------------------------------------------------------------------
Cat:biological;EN:Acronycine;MW:321.376;EXA:1
+
@@ -490,7 +490,7 @@ Cat:biological;EN:Pyrethrin I;MW:328.452;EXA:1
+------------------------------------------------------------------------------
Cat:biological;EN:Oseltamivir;MW:312.40;EXA:1
+
-<30,?6,3=dl,6:*/NH2,@1,\*,NH,!,//O,!,@2,*\,O,!?,!2,@4,\,//O,!,O,!2
+<30,?6,3=dl,6:*/NH2,@1,\*,NH,!,//O,!,@2,*\,O,!,/!,!2,@4,\,//O,!,O,!2
+------------------------------------------------------------------------------
Cat:biological;EN:Paclitaxel;MW:853.918;EXA:1
+
@@ -559,6 +559,58 @@ Cat:biological;EN:Aflatoxin B1;MW:312.27;EXA:1
<30,Ph,6=?6,-2=?5,4=?5,-2=?5,{-2,10}=dl,{7,14,17}:O,
2:/O!,{8,11}://O,{15^-54,16^54}:*/H
+------------------------------------------------------------------------------
+Cat:biological;EN:Aflatoxin B2;MW:314.3;EXA:-
++
+<30,Ph,6=?6,-2=?5,4=?5,-2=?5,10=dl,{7,14,17}:O,
+ 2:/O!,{8,11}://O,{15^-54,16^54}:*/H
++------------------------------------------------------------------------------
+Cat:biological;EN:Aflatoxin G1;MW:328.27;EXA:-
++
+<30,Ph,6=?6,-2=?6,4=?5,-2=?5,{-2,10}=dl,{7,12,15,18}:O,
+ 2:/O!,{8,11}://O,{16^-54,17^54}:*/H
++------------------------------------------------------------------------------
+Cat:biological;EN:Aflatoxin G2;MW:330.29;EXA:-
++
+<30,Ph,6=?6,-2=?6,4=?5,-2=?5,10=dl,{7,12,15,18}:O,
+ 2:/O!,{8,11}://O,{16^-54,17^54}:*/H
++------------------------------------------------------------------------------
+Cat:biological;EN:Aflatoxin M1;MW:328.3;EXA:-
++
+<30,Ph,6=?6,-2=?5,4=?5,-2=?5,{-2,10}=dl,{7,14,17}:O,
+ 2:/O!,{8,11}://O,15^-54:*/H,16^54:*/OH
++------------------------------------------------------------------------------
+Cat:biological;EN:Aflatoxin M2;MW:330.29;EXA:-
++
+<30,Ph,6=?6,-2=?5,4=?5,-2=?5,10=dl,{7,14,17}:O,
+ 2:/O!,{8,11}://O,15^-54:*/H,16^54:*/OH
++------------------------------------------------------------------------------
+Cat:biological;EN:Ochratoxin A;MW:403.813;EXA:1
++
+<30,Ph,@4,\,!,/*COOH,!`1.2,NH,!`1.2,//O,!,
+ Ph,-2:/Cl,-5:/OH,-4=?6,-3:O,-2:*/_,-4://O
++------------------------------------------------------------------------------
+Cat:biological;EN:Deoxynivalenol;MW:296.32;EXA:1
++
+<30,?6,3=?6,5=dl,1://O,6:/_,-1:O,{4'^60,-2}:*/H,7^30:*/_,@7,72`.9,80`1.3,&9,
+ @8,?3,-3=wf_,-1=si_,-1:O,{2,12^18}:/*OH,3:/*!OH^-60`1
++------------------------------------------------------------------------------
+Cat:biological;EN:Patulin;MW:154.12;EXA:1
++
+<30,?6,3=?5,{2,10}=dl,{6,7}:O,5:/OH,8://O
++------------------------------------------------------------------------------
+Cat:biological;EN:Citrinin;MW:250.247;EXA:1
++
+<30,?6,3=?6,{2,5,11}=dl,9:O,1://O,2:/_,{7,8'}:*/_,5:/OH,6:/COOH
++------------------------------------------------------------------------------
+Cat:biological;EN:Zearalenone;MW:318.364;EXA:1
++
+<30,Ph,@3,#1,\,!5,60,60,!4,&4,##,{1,5,8}=dl,17:O,16:*/_,{1,5}:/OH,{12,18}://O
++------------------------------------------------------------------------------
+Cat:biological;EN:Fumonisin B1;MW:721.83;EXA:1
++
+<30,!19,@6,*\,O,!,//O,!2,/COOH,!2,COOH,@7,\*`1.2,O,!,//O,!2,/COOH,!2,COOH,
+ {5,9}:/*_,{11,16,18'}:*/OH,19:/*NH2
++------------------------------------------------------------------------------
%==============================================================================
Cat:synthetic;EN:Benzene;MW:78.11;EXA:-
+
@@ -1959,11 +2011,11 @@ Cat:pesticide;EN:Lufenuron;MW:511.15;EXA:-
@3,\,//O,!,NH,!,//O,!,NH,!,Ph,{-1,-4}:/Cl,@-3,\,O,!,/F^35,/F^-35,!,/F,!,CF3
+------------------------------------------------------------------------------
%******************************************************************************
-Cat:antibacterial;EN:Sulfacetamide;MW:214.239;EXA:1
+Cat:antibacterial;EN:Sulfacetamide;MW:214.239;EXA:-
+
<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,//O,!
+------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sulfatiazole;MW:255.31;EXA:1
+Cat:antibacterial;EN:Sulfatiazole;MW:255.31;EXA:-
+
<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,?5,{1,3}=dl,2:N,5:S
+------------------------------------------------------------------------------
@@ -1992,7 +2044,7 @@ Cat:antibacterial;EN:Marbofloxacin;MW:362.361;EXA:1
<30,Ph,{3,(2,7)}=?6,9=dl,6:/F,{7,13}:N,11:O,9:/COOH,10://O,13:/_,
@1,\,|,?6,{1,4}:N,4:/_
+------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sulfamerazine;MW:264.303;EXA:1
+Cat:antibacterial;EN:Sulfamerazine;MW:264.303;EXA:-
+
<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,6}:N,3:/_
+------------------------------------------------------------------------------
@@ -2005,7 +2057,7 @@ Cat:antibacterial;EN:Ofloxacin;MW:361.373;EXA:1
<30,Ph,{3,(2,7)}=?6,9=dl,7:N,11:O,
6:/F,9:/COOH,10://O,13:/_,@1,\,|,?6,{1,4}:N,4:/_
+------------------------------------------------------------------------------
-Cat:antibacterial;EN:Ciprofloxacin;MW:331.347;EXA:1
+Cat:antibacterial;EN:Ciprofloxacin;MW:331.347;EXA:-
+
<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,1:N,4:NH
+------------------------------------------------------------------------------
@@ -2022,7 +2074,7 @@ Cat:antibacterial;EN:Ormetoprim;MW:274.324;EXA:1
+
<30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,2:/_,{4,5}:/O!
+------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sulfadimidine;MW:278.33;EXA:1
+Cat:antibacterial;EN:Sulfadimidine;MW:278.33;EXA:-
+
<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/_
+------------------------------------------------------------------------------
@@ -2035,7 +2087,7 @@ Cat:antibacterial;EN:Sulfamethoxypyridazine;MW:280.302;EXA:-
+
<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{5,6}:N,4:/O!
+------------------------------------------------------------------------------
-Cat:antibacterial;EN:Sarafloxacin;MW:385.371;EXA:1
+Cat:antibacterial;EN:Sarafloxacin;MW:385.371;EXA:-
+
<30,Ph,3=?6,9=dl,7:N,6:/F,9:/COOH,10://O,@1,\,?6,-6:N,-3:NH,@7,\,Ph,-3:/F
+------------------------------------------------------------------------------