Difference between revisions of "CPD-676"

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(Created page with "Category:metabolite == Metabolite CPD-11647 == * common-name: ** thermospermine * smiles: ** c([n+])ccc[n+]ccc[n+]ccc[n+] * inchi-key: ** doddbcgmrafleb-uhfffaoysa-r * mol...")
(Created page with "Category:metabolite == Metabolite CPD-676 == * common-name: ** trans-caffeate * smiles: ** c([o-])(=o)c=cc1(c=c(o)c(o)=cc=1) * inchi-key: ** qaiprvgongvqas-duxpyhpusa-m *...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-11647 ==
+
== Metabolite CPD-676 ==
 
* common-name:
 
* common-name:
** thermospermine
+
** trans-caffeate
 
* smiles:
 
* smiles:
** c([n+])ccc[n+]ccc[n+]ccc[n+]
+
** c([o-])(=o)c=cc1(c=c(o)c(o)=cc=1)
 
* inchi-key:
 
* inchi-key:
** doddbcgmrafleb-uhfffaoysa-r
+
** qaiprvgongvqas-duxpyhpusa-m
 
* molecular-weight:
 
* molecular-weight:
** 206.374
+
** 179.152
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-11190]]
+
* [[RXN-1104]]
 +
* [[RXN-1126]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-11190]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=thermospermine}}
+
{{#set: common-name=trans-caffeate}}
{{#set: inchi-key=inchikey=doddbcgmrafleb-uhfffaoysa-r}}
+
{{#set: inchi-key=inchikey=qaiprvgongvqas-duxpyhpusa-m}}
{{#set: molecular-weight=206.374}}
+
{{#set: molecular-weight=179.152}}

Latest revision as of 11:17, 18 March 2021

Metabolite CPD-676

  • common-name:
    • trans-caffeate
  • smiles:
    • c([o-])(=o)c=cc1(c=c(o)c(o)=cc=1)
  • inchi-key:
    • qaiprvgongvqas-duxpyhpusa-m
  • molecular-weight:
    • 179.152

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality