Difference between revisions of "SCOPOLIN"

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(Created page with "Category:metabolite == Metabolite S-N-METHYLCOCLAURINE == * common-name: ** (s)-n-methylcoclaurine * smiles: ** c1([n+]([ch](c2(=c(c1)c=c(c(=c2)o)oc))cc3(=cc=c(c=c3)o))c)...")
(Created page with "Category:metabolite == Metabolite SCOPOLIN == * common-name: ** scopolin * smiles: ** coc2(=cc1(=c(oc(c=c1)=o)c=c2oc3(c(c(c(o)c(co)o3)o)o))) * inchi-key: ** sgtcgccqzoumjj...")
 
(4 intermediate revisions by 3 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite S-N-METHYLCOCLAURINE ==
+
== Metabolite SCOPOLIN ==
 
* common-name:
 
* common-name:
** (s)-n-methylcoclaurine
+
** scopolin
 
* smiles:
 
* smiles:
** c1([n+]([ch](c2(=c(c1)c=c(c(=c2)o)oc))cc3(=cc=c(c=c3)o))c)
+
** coc2(=cc1(=c(oc(c=c1)=o)c=c2oc3(c(c(c(o)c(co)o3)o)o)))
 
* inchi-key:
 
* inchi-key:
** bokvlbssputwlv-inizcteosa-o
+
** sgtcgccqzoumjj-ymiltqatsa-n
 
* molecular-weight:
 
* molecular-weight:
** 300.377
+
** 354.313
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-14179]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[2.1.1.140-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(s)-n-methylcoclaurine}}
+
{{#set: common-name=scopolin}}
{{#set: inchi-key=inchikey=bokvlbssputwlv-inizcteosa-o}}
+
{{#set: inchi-key=inchikey=sgtcgccqzoumjj-ymiltqatsa-n}}
{{#set: molecular-weight=300.377}}
+
{{#set: molecular-weight=354.313}}

Latest revision as of 11:12, 18 March 2021

Metabolite SCOPOLIN

  • common-name:
    • scopolin
  • smiles:
    • coc2(=cc1(=c(oc(c=c1)=o)c=c2oc3(c(c(c(o)c(co)o3)o)o)))
  • inchi-key:
    • sgtcgccqzoumjj-ymiltqatsa-n
  • molecular-weight:
    • 354.313

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality