Difference between revisions of "CPD-171"

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(Created page with "Category:metabolite == Metabolite CPD-10420 == * common-name: ** 4-sulfomuconolactone * smiles: ** c([o-])(=o)cc1(s(=o)(=o)[o-])(c=cc(=o)o1) * inchi-key: ** weeoykxhmipyqx...")
(Created page with "Category:metabolite == Metabolite CPD-18761 == * common-name: ** coniferyl alcohol radical * smiles: ** coc1(=cc(=ccco)c=cc(=o)1) * inchi-key: ** orajwsykrgvtdp-uhfffaoysa...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-10420 ==
+
== Metabolite CPD-18761 ==
 
* common-name:
 
* common-name:
** 4-sulfomuconolactone
+
** coniferyl alcohol radical
 
* smiles:
 
* smiles:
** c([o-])(=o)cc1(s(=o)(=o)[o-])(c=cc(=o)o1)
+
** coc1(=cc(=ccco)c=cc(=o)1)
 
* inchi-key:
 
* inchi-key:
** weeoykxhmipyqx-uhfffaoysa-l
+
** orajwsykrgvtdp-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 220.153
+
** 179.195
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-9733]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-17351]]
 +
* [[RXN-17352]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4-sulfomuconolactone}}
+
{{#set: common-name=coniferyl alcohol radical}}
{{#set: inchi-key=inchikey=weeoykxhmipyqx-uhfffaoysa-l}}
+
{{#set: inchi-key=inchikey=orajwsykrgvtdp-uhfffaoysa-n}}
{{#set: molecular-weight=220.153}}
+
{{#set: molecular-weight=179.195}}

Revision as of 18:54, 14 January 2021

Metabolite CPD-18761

  • common-name:
    • coniferyl alcohol radical
  • smiles:
    • coc1(=cc(=ccco)c=cc(=o)1)
  • inchi-key:
    • orajwsykrgvtdp-uhfffaoysa-n
  • molecular-weight:
    • 179.195

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality