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authorNorbert Preining <norbert@preining.info>2021-05-06 03:00:58 +0000
committerNorbert Preining <norbert@preining.info>2021-05-06 03:00:58 +0000
commit25f20b6d8ccd4edcdfec23c1a3c908516076ee06 (patch)
treef889e071118d7d2db80066d14d14b020c50a2238 /graphics/mcf2graph/mcf_data_base.mcf
parent75db33dc347ec9cfbaa2f3ec538a2697351f571b (diff)
CTAN sync 202105060300
Diffstat (limited to 'graphics/mcf2graph/mcf_data_base.mcf')
-rw-r--r--graphics/mcf2graph/mcf_data_base.mcf166
1 files changed, 83 insertions, 83 deletions
diff --git a/graphics/mcf2graph/mcf_data_base.mcf b/graphics/mcf2graph/mcf_data_base.mcf
index 015712b2df..726ac90578 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 2021.04.18
+% molecular data base file mcf_data_base.mcf by Akira Yamaji 2021.05.05
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line '%' comment out
@@ -89,13 +89,13 @@ Cat:biological;EN:Capsaicin;MW:305.418
Cat:biological;EN:Thiamine;MW:300.81
+
<30,Ph,4:/NH2,@3,\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_,
- @-3,\,!2,OH,8:p_^72,@(6.7,1.5),Cl,n_^15
+ @-3,\,!2,OH,8:p_^72,@(6.7,1.5),Cl,n_^15
+------------------------------------------------------------------------------
Cat:biological;EN:Gibberellin A3;MW:346.379
+
<18,?5,3=?7,5=?6[12],@8,160`1.3,&3,13=dl,6=wf,8=wb,
- @5,40~zf`1,O,50,//O^180,&14~zb,
- 2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,{1,4}:*/H^60
+ @5,40~zf`1,O,50,//O^180,&14~zb,
+ 2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,{1,4}:*/H^60
+------------------------------------------------------------------------------
Cat:biological;EN:Cholesterol;MW:386.664
+
@@ -105,7 +105,7 @@ Cat:biological;EN:Cholesterol;MW:386.664
Cat:biological;EN:Riboflavin;MW:376.37
+
<30,Ph,3=?6,9=?6,{8,16}=dl,{7,10,14}:N,12:NH,{11,13}://O,{1,6}:/_,
- @10,\`1.2,!,*/OH,!,/*OH,!,*/OH,!2,OH
+ @10,\`1.2,!,*/OH,!,/*OH,!,*/OH,!2,OH
+------------------------------------------------------------------------------
Cat:biological;EN:Resveratrol;MW:228.24
+
@@ -122,7 +122,7 @@ Cat:synthetic;EN:Hexaphenylbenzene;MW:534.6876
Cat:synthetic;EN:Kekulene;MW:600.7
+
<30,Ph,{3,-2,-3,-2,-3,-2,-3,-2,-3,-2}=?6,(-3,6)=?6[3],@-4,&6,
-{8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl
+ {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl
+------------------------------------------------------------------------------
Cat:synthetic;EN:18-Crown-6;MW:264.32
+
@@ -131,13 +131,13 @@ Cat:synthetic;EN:18-Crown-6;MW:264.32
Cat:synthetic;EN:Porphyrin;MW:310.4
+
<9,#1,?5,@3,\,54,?5,@-2,\,54,?5,@-2,\,54,?5,@-2,\,&5,##,
-{1,4,6,8,10,14,16,18,21,23,27}=dl,{4,17}:N,{11,23}:NH
+ {1,4,6,8,10,14,16,18,21,23,27}=dl,{4,17}:N,{11,23}:NH
+------------------------------------------------------------------------------
Cat:synthetic;EN:Sulflower;MW:448.69
+
<67.5,?8,{1,3,5,7}=?5,@11,30`1.15,&12,@14,30`1.15,&15,
-@17,30`1.15,&18,@20,30`1.15,&9,{9,12,13,16,17,20,21,24}=dl,
-{10,13,16,19,21,22,23,24}:S
+ @17,30`1.15,&18,@20,30`1.15,&9,{9,12,13,16,17,20,21,24}=dl,
+ {10,13,16,19,21,22,23,24}:S
+------------------------------------------------------------------------------
Cat:synthetic;EN:Arsphenamine x5;MW:915.2
+
@@ -178,7 +178,7 @@ Cat:pesticide;EN:pp-DDT;MW:354.49
Cat:pesticide;EN:Endrin;MW:380.91
+
<30,?6`1.3,3=?6,6=dl,9=?3,-1:O,
- @2,210~wf`1.5,&5~wb,@7,210~zf`1.5,&10~zb,{1,2,5,6,12^-210,12^-150}:/Cl
+ @2,210~wf`1.5,&5~wb,@7,210~zf`1.5,&10~zb,{1,2,5,6,12^-210,12^-150}:/Cl
+------------------------------------------------------------------------------
Cat:pesticide;EN:Acrinathrin;MW:541.45
+
@@ -192,7 +192,7 @@ Cat:pesticide;EN:Cafenstrole;MW:350.4
Cat:pesticide;EN:Carfentrazone-ethyl;MW:412.19
+
<30,Ph,4:/F,6:/Cl,@1,\,!,/Cl,!,//O,!,O,!2,
- @3,\,|,?5,4=dl,{1,3,5}:N,-4://O,-3:/CF2,-2:/_
+ @3,\,|,?5,4=dl,{1,3,5}:N,-4://O,-3:/CF2,-2:/_
+------------------------------------------------------------------------------
Cat:pesticide;EN:Carboxin;MW:235.301
+
@@ -258,7 +258,7 @@ Cat:pesticide;EN:Fenitrothion;MW:277.23
Cat:pesticide;EN:Fipronil;MW:437.2
+
<30,Ph,{2,4}:/Cl,6:/CF3,@3,\,|,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2,
- @-2,\,S,//O,!,CF3
+ @-2,\,S,//O,!,CF3
+------------------------------------------------------------------------------
Cat:pesticide;EN:Flumequine;MW:261.225
+
@@ -343,7 +343,7 @@ Cat:pesticide;EN:Tetraconazole;MW:372.145
Cat:pesticide;EN:Endosulfan;MW:406.904
+
<26,?7,7=?6[13],@11,208~wf`1.45,&8~wb,10=dl,{3,5}:O,4:S,4://O,
- {8,9,10,11,12^-210,12^-150}:/Cl
+ {8,9,10,11,12^-210,12^-150}:/Cl
+------------------------------------------------------------------------------
Cat:pesticide;EN:Uniconazole-P;MW:291.779
+
@@ -417,13 +417,13 @@ Cat:antibiotics;EN:Oxacillin;MW:401.4363
Cat:antibiotics;EN:Cloxacillin;MW:435.8813
+
<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
- @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,@-1,\^-24,Ph,-5:/Cl
+ @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,@-1,\^-24,Ph,-5:/Cl
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Dicloxacillin;MW:470.3264
+
<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
- @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,
- @-1,\^-24,Ph,{-1,-5}:/Cl
+ @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,
+ @-1,\^-24,Ph,{-1,-5}:/Cl
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Cefalexin;MW:347.3889
+
@@ -433,60 +433,60 @@ Cat:antibiotics;EN:Cefalexin;MW:347.3889
Cat:antibiotics;EN:Cefalonium;MW:458.5107
+
<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,@5,\*,//O,!,O,n_^40,
- @4,*\^15,NH,!,//O,!2,?5,{-1,-3}=dl,-4:S,
- @6,\,!,|,Ph,1:N,1:p_^180,@4,\,//O,!,NH2
+ @4,*\^15,NH,!,//O,!2,?5,{-1,-3}=dl,-4:S,
+ @6,\,!,|,Ph,1:N,1:p_^180,@4,\,//O,!,NH2
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Cefazorin;MW:454.51
+
<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
- @4,*\^15,NH,!,//O,!2,?5,{-2,-4}=dl,{-1,-2,-3,-5}:N,
- @6,\,!,S,!,?5,{-3,-5}=dl,-1:S,-2:/_,{-3,-4}:N
+ @4,*\^15,NH,!,//O,!2,?5,{-2,-4}=dl,{-1,-2,-3,-5}:N,
+ @6,\,!,S,!,?5,{-3,-5}=dl,-1:S,-2:/_,{-3,-4}:N
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Cefquinome;MW:528.6
+
<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,@5,\*,//O,!,O,n_^40,
- @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
- @6,\,!,Ph,-2=?6,-10:N,-10:p_^180
+ @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
+ @6,\,!,Ph,-2=?6,-10:N,-10:p_^180
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Ceftiofur;MW:523.5626
+
<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
- @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
- @6,\,!,S,!,//O,!,?5,{-1,-3}=dl,-4:O
+ @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
+ @6,\,!,S,!,//O,!,?5,{-1,-3}=dl,-4:O
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Cefuroxime;MW:424.3852
+
<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
- @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-1,-3}=dl,-4:O,@6,\,!,O,!,//O,!,NH2
+ @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-1,-3}=dl,-4:O,@6,\,!,O,!,//O,!,NH2
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Apramycin;MW:539.58
+
<30,?6,-4=?6,{2,10}:O,@1,\*,O,60~zb,?6,@9,\*,O,-60~zb,?6,-5:O,
- {7,13,-2}:*/OH,{14,-1}:/*OH,{15,17}:*/NH2,{6,-3}:/*NH2,8:*/NH!>vt,
- -4:*/!OH,3:/*H^-60`.75,4:*/H^60`.75
+ {7,13,-2}:*/OH,{14,-1}:/*OH,{15,17}:*/NH2,{6,-3}:/*NH2,8:*/NH!>vt,
+ -4:*/!OH,3:/*H^-60`.75,4:*/H^60`.75
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Gentamycin;MW:477.596
+
<-30,?6,@1,\*,O,0~zb,?6,-5:O,@5,\*,O,0~zb,?6,-5:O,{2,4}:*/NH2,20:/*NH2,6:*/OH,
- 11:*/OH^-35,11:/*_^35,12:*/NH!,13:/*OH,17:/'(*/_,!NH!)
+ 11:*/OH^-35,11:/*_^35,12:*/NH!,13:/*OH,17:/'(*/_,!NH!)
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Kanamycin;MW:484.499
+
<-30,?6,@1,\*,O,0~zb,?6,-5:O,@5,\,O,0,?6,-5:O,
- {2,4,12}:*/NH2,{6,19}:*/OH,{11,13,18,20}:/*OH,10:*/!OH,17:*/!NH2
+ {2,4,12}:*/NH2,{6,19}:*/OH,{11,13,18,20}:/*OH,10:*/!OH,17:*/!NH2
+------------------------------------------------------------------------------
Cat:antibiotics;EN:DihydroStreptmycin;MW:583.574
+
<54,?5,3:O,4:/*_,5:/!OH^-48,5:/*OH^35,@1,\*,O,-24~wb,?6,-5:O,@2,*\,O,24~zb,?6,
- {10,15}:*/OH,{11,16,18}:/*OH,9:/*!OH,12:*/NH!,
- @17,*\^-18,NH,!,//NH,!,NH2,@19,*\,NH,!,//NH,!,NH2
+ {10,15}:*/OH,{11,16,18}:/*OH,9:/*!OH,12:*/NH!,
+ @17,*\^-18,NH,!,//NH,!,NH2,@19,*\,NH,!,//NH,!,NH2
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Fradiomycin;MW:614.644
+
<30,?6,3:O,2:/*!NH2,1:*/OH,6:/*OH,5:*/NH2,
- @4,*\,O,!~wb,?6,{-3,-5^15}:/*NH2,-2:*/OH^-15,
- @-1,\*,O,-72~wb,?5,-4:O,-1:/*OH>vt,-3:*/!OH>vt,
- @-2,\*^-24,O,-60~zb,?6,-5:O,-1:/*NH2,-2:*/OH,-3:/*OH,-4:/*!NH2>60
+ @4,*\,O,!~wb,?6,{-3,-5^15}:/*NH2,-2:*/OH^-15,
+ @-1,\*,O,-72~wb,?5,-4:O,-1:/*OH>vt,-3:*/!OH>vt,
+ @-2,\*^-24,O,-60~zb,?6,-5:O,-1:/*NH2,-2:*/OH,-3:/*OH,-4:/*!NH2>60
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Streptmycin;MW:581.574
+
@@ -497,18 +497,18 @@ Cat:antibiotics;EN:Streptmycin;MW:581.574
Cat:antibiotics;EN:Neospiramycin;MW:698.9
+
<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
- {12,14}=dl,2:O,1:/*_,5:/*OH,3://O,10:/*_,6:/*O!>vt,
- @-6,\*,O,!~wb,?6`.7,-5:O,-3:/*N?!,-4:*/_,
- @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_,-3:/*OH,@8,\*,!,!!,O
+ {12,14}=dl,2:O,1:/*_,5:/*OH,3://O,10:/*_,6:/*O!>vt,
+ @-6,\*,O,!~wb,?6`.7,-5:O,-3:/*N?!,-4:*/_,
+ @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_,-3:/*OH,@8,\*,!,!!,O
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Emamectine;MW:886.133
+
<24,?6,6=?5,3=dl,9:O,2:*/OH,3:/_,6:/*OH^-60,
- @5,#1.04,6,//O,-60,O,60~wb,60,-60,60~wf,60,-60,60,60,60,-60,60,##,&7,
- {-1,-3,-7}=dl,(-11,-10)=?6[4],@-2,?6,-6=wf,-1=zb,-5=dl,
- {-1,-6}:O,-3:*/_,@-2,\,*/_,!2,
- 17:/_,19:/*_,@18,\,O,!,?6`.8,-1:O,-2:*/_,-4:*/O!,
- @-3,\,O,60,?6`.8,-5:O,-4:*/_,-3:/*NH!,-2:*/O!
+ @5,#1.04,6,//O,-60,O,60~wb,60,-60,60~wf,60,-60,60,60,60,-60,60,##,&7,
+ {-1,-3,-7}=dl,(-11,-10)=?6[4],@-2,?6,-6=wf,-1=zb,-5=dl,
+ {-1,-6}:O,-3:*/_,@-2,\,*/_,!2,
+ 17:/_,19:/*_,@18,\,O,!,?6`.8,-1:O,-2:*/_,-4:*/O!,
+ @-3,\,O,60,?6`.8,-5:O,-4:*/_,-3:/*NH!,-2:*/O!
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Spinosad;MW:731.968
+
@@ -560,7 +560,7 @@ Cat:antibiotics;EN:Chlortetracyclin;MW:478.88
Cat:antibiotics;EN:Oxytetracyclin;MW:460.434
+
<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,11:*/OH,
-{5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2
+ {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2
+------------------------------------------------------------------------------
Cat:antibiotics;EN:Tetracyclin;MW:444.435
+
@@ -614,12 +614,12 @@ Cat:biological;EN:Limonin;MW:470.518
Cat:biological;EN:Cromolyn;MW:468.37
+
<30,Ph,|,-1=?6,3=dl,1:O,4://O,2:/COOH,
-@$2,\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1://O,3:/COOH
+ @$2,\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1://O,3:/COOH
+------------------------------------------------------------------------------
Cat:biological;EN:Emetine;MW:480.649
+
<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!
+ @-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
+
@@ -636,12 +636,12 @@ Cat:biological;EN:Febrifugine;MW:301.346
Cat:biological;EN:Mitomycine C;MW:334.332
+
<30,?6,{3,6}=dl,{2,5}://O,1:/_,-4=?5,-3:N,
-6:/NH2,,-3=?5,-2=?3,-1=wb,-2=wf,-1:NH,8:/*O!^35,@$9,\,!,O,60,//O,!,NH2
+ 6:/NH2,,-3=?5,-2=?3,-1=wb,-2=wf,-1:NH,8:/*O!^35,@$9,\,!,O,60,//O,!,NH2
+------------------------------------------------------------------------------
Cat:biological;EN:Podophyllotoxin;MW:414.41
+
<0,?5,{2,5}:O,-3=Ph2,-3=?6,-3=?5,-2:O,-1=wb,-3://O,
-@10,\*,Ph,{-2,-3,-4}:/O!,13:/*OH,{11~wf^-60,12~zf^60}:/H
+ @10,\*,Ph,{-2,-3,-4}:/O!,13:/*OH,{11~wf^-60,12~zf^60}:/H
+------------------------------------------------------------------------------
Cat:biological;EN:Warfarin;MW:308.333
+
@@ -658,17 +658,17 @@ Cat:biological;EN:Baicalein;MW:270.24
Cat:biological;EN:Reserpine;MW:608.688
+
<54,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}:/O!,{1,19~zf>rl}:/O!,18:*/COO!>lr
+ @20,*\,O,!,//O,!,Ph,{-2,-3,-4}:/O!,{1,19~zf>rl}:/O!,18:*/COO!>lr
+------------------------------------------------------------------------------
Cat:biological;EN:Rotenone;MW:394.423
+
<-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}:/O!,@1,*\,/_,!!
+ {2,13,16}:O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!,@1,*\,/_,!!
+------------------------------------------------------------------------------
Cat:biological;EN:Pyrethrin I;MW:328.452
+
<30,?3,{3^35~wf,3^-35~zf}:/_,@1,*\,!!,?!,
-@2,\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O,@-2,\,!4,{-1,-3}=dl
+ @2,\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O,@-2,\,!4,{-1,-3}=dl
+------------------------------------------------------------------------------
Cat:biological;EN:Oseltamivir;MW:312.40
+
@@ -677,14 +677,14 @@ Cat:biological;EN:Oseltamivir;MW:312.40
Cat:biological;EN:Paclitaxel;MW:853.918
+
?6,5=dl,@3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,
-4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O,
-@1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph,
-@7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr
+ 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O,
+ @1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph,
+ @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr
+------------------------------------------------------------------------------
Cat:biological;EN:Mevastatin;MW:390.52
+
<30,?6,2=dl,4:*/H^60,-4=?6,-4=dl,9:*/_,
-@10,*\,!,60~wb,?6,6:O,-2://O,-4:/*OH,@5,\*,O,60,//O,!,*/_,!2
+ @10,*\,!,60~wb,?6,6:O,-2://O,-4:/*OH,@5,\*,O,60,//O,!,*/_,!2
+------------------------------------------------------------------------------
Cat:biological;EN:Sesamine;MW:354.35
+
@@ -698,7 +698,7 @@ Cat:biological;EN:Morphine;MW:285.343
Cat:biological;EN:Quinine;MW:324.424
+
<30,Ph,3=Ph,7:N,6:/O!,
-@10,\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60,@4,*\,!!,@2,165~zf,60,&5~zb
+ @10,\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60,@4,*\,!!,@2,165~zf,60,&5~zb
+------------------------------------------------------------------------------
Cat:biological;EN:Atoropin;MW:289.375
+
@@ -711,7 +711,7 @@ Cat:biological;EN:Colchicine;MW:399.443
Cat:biological;EN:Lycorine;MW:287.315
+
<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
+ 9:/*H^180,10:*/H^60,13:*/OH,14:/*OH
+------------------------------------------------------------------------------
Cat:biological;EN:Ibotenic acid;MW:158.113
+
@@ -733,8 +733,8 @@ Cat:biological;EN:Psilocybin;MW:284.248
Cat:biological;EN:Tetrodotoxine;MW:319.27
+
#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)~si_,@8,-15~si_,O,&12,##,
-@9,45,-60,OH,1^120://NH,{5~zf^-15,7,9^-75,12,13~zf}:/OH,{2,6^180}:NH
+ @10,\,O,60`1.33,60,&($3)~si_,@8,-15~si_,O,&12,##,
+ @9,45,-60,OH,1^120://NH,{5~zf^-15,7,9^-75,12,13~zf}:/OH,{2,6^180}:NH
+------------------------------------------------------------------------------
Cat:biological;EN:Aflatoxin B1;MW:312.27
+
@@ -747,37 +747,37 @@ Cat:biological;EN:Aflatoxin B1;MW:312.27
Cat:antibiotics;EN:Vancomycin;MW:1449.25
+
<-30,#1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60,
- Ph,-4:/Cl,@-3,\,O,!,Ph,@-4,\,O,!,Ph,-1^15:/Cl,@-3,\,/*OH,*/H^-60,&1,
- @7,&26,@$1,60,//O,60,NH,60,/*H,*/COOH^180,-60,
- Ph,{-2,-4}:/OH,@-1,\,Ph,-5:/OH,@-2,&4,##,
- {3^40,6,9,12}://O,{2,5,8,11}:NH,{1,4^180}:*/H,{7^-60,10^60,14^60}:/*H,
- @10,*\^-60,60,//O,!,NH2,@13,*\,NH,!,//O,!,/??!,*/H^60,!~zf,NH,!,
- @23,\,O,!,|,?6`.7,2:O,3^10:/!OH,{4,5}:/OH,
- @-1,\,O,!,|,?6`.7,6:O,{3^35,5}:/_,3^-35:/NH2,4:/OH
+ Ph,-4:/Cl,@-3,\,O,!,Ph,@-4,\,O,!,Ph,-1^15:/Cl,@-3,\,/*OH,*/H^-60,&1,
+ @7,&26,@$1,60,//O,60,NH,60,/*H,*/COOH^180,-60,
+ Ph,{-2,-4}:/OH,@-1,\,Ph,-5:/OH,@-2,&4,##,
+ {3^40,6,9,12}://O,{2,5,8,11}:NH,{1,4^180}:*/H,{7^-60,10^60,14^60}:/*H,
+ @10,*\^-60,60,//O,!,NH2,@13,*\,NH,!,//O,!,/??!,*/H^60,!~zf,NH,!,
+ @23,\,O,!,|,?6`.7,2:O,3^10:/!OH,{4,5}:/OH,
+ @-1,\,O,!,|,?6`.7,6:O,{3^35,5}:/_,3^-35:/NH2,4:/OH
+------------------------------------------------------------------------------
Cat:biological;EN:Maitotoxin;MW:3425.86
+
<55.8,?6,-4=?7 ,{-4,-3,-3,-3}=?6,@-3,\,!3,?6,{-4,-3,-3,-3}=?6,@-3,\,?6,-3=?6,
- @-3,\,!3,60,<-30,?6,-3=?6,@-3,30,<30,?6,{-3,-3}=?6,-3=?7,{-4,-3,-3}=?6,
- @-2,\,?6,-3=?6,-3=?7,{-3,-3}=?6,-3=?8,-3=dl,{-5,-3,-3,-3}=?6,
- {5,7,15,16,23,24,32,40,41,48,49,58,59,72,73,82,83,90,91,99,
- 100,107,113,114,122,123,130,131,140,141,148,149}:O,
- {1^60,2,26,28,29,51,54,61,63,68,75^60,78,109}:*/OH,
- {11,20,35,45,52,55,65,69,86}:/*OH,{47,57,71}:/*H^60,
- {3,8,13,17,21,33,38,42,56,70,84,92,101,106,111,128,138,142,146,150}:/*H^-60,
- {4,14,22,34,39,43,81,89,98,102,116,121,125,129,133}:*/H^60,
- {6,46,50,53,60,67,74}:*/H^-60,
- {9,18,85,93,112,139,143,147}:*/_`1^60,
- {80,88,97,115,120,124}:/*_`1^-60,108:*/_`1^-60,
- @$6,\,|,!11,60~dr,-60,60,OH,2:/*OH,{7,10}:*/OH,{1,3}:*/_,{8~zf,11~dm,12}:/_,
- @6,\,O,30,SOO,30,"O{Na}",
- @$36,-45~zf,O,30,SOO,30,"O{Na}",
- @$150,\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl
+ @-3,\,!3,60,<-30,?6,-3=?6,@-3,30,<30,?6,{-3,-3}=?6,-3=?7,{-4,-3,-3}=?6,
+ @-2,\,?6,-3=?6,-3=?7,{-3,-3}=?6,-3=?8,-3=dl,{-5,-3,-3,-3}=?6,
+ {5,7,15,16,23,24,32,40,41,48,49,58,59,72,73,82,83,90,91,99,
+ 100,107,113,114,122,123,130,131,140,141,148,149}:O,
+ {1^60,2,26,28,29,51,54,61,63,68,75^60,78,109}:*/OH,
+ {11,20,35,45,52,55,65,69,86}:/*OH,{47,57,71}:/*H^60,
+ {3,8,13,17,21,33,38,42,56,70,84,92,101,106,111,128,138,142,146,150}:/*H^-60,
+ {4,14,22,34,39,43,81,89,98,102,116,121,125,129,133}:*/H^60,
+ {6,46,50,53,60,67,74}:*/H^-60,
+ {9,18,85,93,112,139,143,147}:*/_`1^60,
+ {80,88,97,115,120,124}:/*_`1^-60,108:*/_`1^-60,
+ @$6,\,|,!11,60~dr,-60,60,OH,2:/*OH,{7,10}:*/OH,{1,3}:*/_,{8~zf,11~dm,12}:/_,
+ @6,\,O,30,SOO,30,"O{Na}",
+ @$36,-45~zf,O,30,SOO,30,"O{Na}",
+ @$150,\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl
+------------------------------------------------------------------------------
Cat:biological;EN:Okadaic acid;MW:805.00
+
<30,?6,@4,?6,@-4,\,!3,<-12,?5,@-3,<-12,?6,-3=?6,@-3,*\,!3,
- ?6,@-4,?6,@6,\,!,/*Me^-40,*/OH^20,!,//O,!1,OH,
- 3=wb,11=dl,15=dr,17=wf,19=wf,38=wb,{5,7,16,24,25,33,42}:O,
- 32:*/H^60,10:/Me,{12,31}:*/_,27://_,37:/*_,28:/OH,{3,29}:/*OH
+ ?6,@-4,?6,@6,\,!,/*Me^-40,*/OH^20,!,//O,!1,OH,
+ 3=wb,11=dl,15=dr,17=wf,19=wf,38=wb,{5,7,16,24,25,33,42}:O,
+ 32:*/H^60,10:/Me,{12,31}:*/_,27://_,37:/*_,28:/OH,{3,29}:/*OH
+------------------------------------------------------------------------------