Difference between revisions of "CPD-13174"

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(Created page with "Category:metabolite == Metabolite CPD-14746 == * common-name: ** thiobenzoate * smiles: ** c(c1(c=cc=cc=1))(s)=o * inchi-key: ** uijgntrupzpvng-uhfffaoysa-n * molecular-we...")
(Created page with "Category:metabolite == Metabolite CPD-13174 == * common-name: ** salicyl-6-hydroxy-2-cyclohexene-on-oyl * smiles: ** c(c1(o)(c(=o)ccc=c1))(occ2(c(o)=cc=cc=2))=o * inchi-ke...")
 
(3 intermediate revisions by 3 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-14746 ==
+
== Metabolite CPD-13174 ==
 
* common-name:
 
* common-name:
** thiobenzoate
+
** salicyl-6-hydroxy-2-cyclohexene-on-oyl
 
* smiles:
 
* smiles:
** c(c1(c=cc=cc=1))(s)=o
+
** c(c1(o)(c(=o)ccc=c1))(occ2(c(o)=cc=cc=2))=o
 
* inchi-key:
 
* inchi-key:
** uijgntrupzpvng-uhfffaoysa-n
+
** wyymyyoxcoemcu-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 138.184
+
** 262.262
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13725]]
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* [[RXN-12252]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=thiobenzoate}}
+
{{#set: common-name=salicyl-6-hydroxy-2-cyclohexene-on-oyl}}
{{#set: inchi-key=inchikey=uijgntrupzpvng-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=wyymyyoxcoemcu-uhfffaoysa-n}}
{{#set: molecular-weight=138.184}}
+
{{#set: molecular-weight=262.262}}

Latest revision as of 11:12, 18 March 2021

Metabolite CPD-13174

  • common-name:
    • salicyl-6-hydroxy-2-cyclohexene-on-oyl
  • smiles:
    • c(c1(o)(c(=o)ccc=c1))(occ2(c(o)=cc=cc=2))=o
  • inchi-key:
    • wyymyyoxcoemcu-uhfffaoysa-n
  • molecular-weight:
    • 262.262

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality