Difference between revisions of "CPD-464"

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(Created page with "Category:metabolite == Metabolite CPD-10576 == * common-name: ** 4-chlorosalicylate * smiles: ** c(c1(c=cc(cl)=cc=1o))([o-])=o * inchi-key: ** lwxfczxrfbuoor-uhfffaoysa-m...")
(Created page with "Category:metabolite == Metabolite CPD-9663 == * common-name: ** 2-epi-5-epi-valiolone * smiles: ** c(o)c1(o)(c(o)c(o)c(o)c(=o)c1) * inchi-key: ** jczfnxyqgnlhdq-mvioudgnsa...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-10576 ==
+
== Metabolite CPD-9663 ==
 
* common-name:
 
* common-name:
** 4-chlorosalicylate
+
** 2-epi-5-epi-valiolone
 
* smiles:
 
* smiles:
** c(c1(c=cc(cl)=cc=1o))([o-])=o
+
** c(o)c1(o)(c(o)c(o)c(o)c(=o)c1)
 
* inchi-key:
 
* inchi-key:
** lwxfczxrfbuoor-uhfffaoysa-m
+
** jczfnxyqgnlhdq-mvioudgnsa-n
 
* molecular-weight:
 
* molecular-weight:
** 171.56
+
** 192.168
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-9912]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-9140]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4-chlorosalicylate}}
+
{{#set: common-name=2-epi-5-epi-valiolone}}
{{#set: inchi-key=inchikey=lwxfczxrfbuoor-uhfffaoysa-m}}
+
{{#set: inchi-key=inchikey=jczfnxyqgnlhdq-mvioudgnsa-n}}
{{#set: molecular-weight=171.56}}
+
{{#set: molecular-weight=192.168}}

Revision as of 11:14, 15 January 2021

Metabolite CPD-9663

  • common-name:
    • 2-epi-5-epi-valiolone
  • smiles:
    • c(o)c1(o)(c(o)c(o)c(o)c(=o)c1)
  • inchi-key:
    • jczfnxyqgnlhdq-mvioudgnsa-n
  • molecular-weight:
    • 192.168

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality