Difference between revisions of "ISOPENICILLIN-N"

Revision as of 08:27, 15 March 2021

common-name:
- betanidin quinone
smiles:
- c(=[n+]1(c(c([o-])=o)cc2(c1=cc(=o)c(=o)c=2)))c=c3(c=c(c(=o)[o-])nc(c([o-])=o)c3)
inchi-key:
- mcthlmsflmebek-aaeuagobsa-l
molecular-weight:
- 384.301

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-18762 ==
+== Metabolite CPD-8890 ==
 * common-name:
-** 4-hydroxy-2-methyl-4-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-3(4h)-one 1-oxide
+** betanidin quinone
 * smiles:
-** cc(c)=cccc(c)=cccc(c)=ccc2(o)(c(c1(c=cc=cc=1[n+](=c(c)2)[o-]))=o)
+** c(=[n+]1(c(c([o-])=o)cc2(c1=cc(=o)c(=o)c=2)))c=c3(c=c(c(=o)[o-])nc(c([o-])=o)c3)
 * inchi-key:
-** hzbjgdkeajeslm-yefhwucqsa-n
+** mcthlmsflmebek-aaeuagobsa-l
 * molecular-weight:
-** 395.541
+** 384.301
 == Reaction(s) known to consume the compound ==
-* [[RXN-17334]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-8635]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4-hydroxy-2-methyl-4-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-3(4h)-one 1-oxide}}
+{{#set: common-name=betanidin quinone}}
-{{#set: inchi-key=inchikey=hzbjgdkeajeslm-yefhwucqsa-n}}
+{{#set: inchi-key=inchikey=mcthlmsflmebek-aaeuagobsa-l}}
-{{#set: molecular-weight=395.541}}
+{{#set: molecular-weight=384.301}}