Difference between revisions of "CPD-504"

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(Created page with "Category:metabolite == Metabolite PELARGONIDIN-3-GLUCOSIDE-CMPD == * common-name: ** pelargonidin-3-o-β-d-glucoside * smiles: ** c(o)c1(c(o)c(o)c(o)c(o1)oc3(=cc4(=c([...")
(Created page with "Category:metabolite == Metabolite CPD-12014 == * common-name: ** 6-hydroxymelatonin * smiles: ** cc(=o)nccc1(=cnc2(c1=cc(oc)=c(o)c=2)) * inchi-key: ** omymrcxojjzyke-uhfff...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite PELARGONIDIN-3-GLUCOSIDE-CMPD ==
+
== Metabolite CPD-12014 ==
 
* common-name:
 
* common-name:
** pelargonidin-3-o-β-d-glucoside
+
** 6-hydroxymelatonin
 
* smiles:
 
* smiles:
** c(o)c1(c(o)c(o)c(o)c(o1)oc3(=cc4(=c([o+]=c(c2(=cc=c(o)c=c2))3)c=c(c=c([o-])4)[o-])))
+
** cc(=o)nccc1(=cnc2(c1=cc(oc)=c(o)c=2))
 
* inchi-key:
 
* inchi-key:
** abvcubuixwjyse-gqupqbgvsa-m
+
** omymrcxojjzyke-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 431.375
+
** 248.281
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-7828]]
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* [[RXN-11058]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-11056]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=pelargonidin-3-o-β-d-glucoside}}
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{{#set: common-name=6-hydroxymelatonin}}
{{#set: inchi-key=inchikey=abvcubuixwjyse-gqupqbgvsa-m}}
+
{{#set: inchi-key=inchikey=omymrcxojjzyke-uhfffaoysa-n}}
{{#set: molecular-weight=431.375}}
+
{{#set: molecular-weight=248.281}}

Revision as of 08:25, 15 March 2021

Metabolite CPD-12014

  • common-name:
    • 6-hydroxymelatonin
  • smiles:
    • cc(=o)nccc1(=cnc2(c1=cc(oc)=c(o)c=2))
  • inchi-key:
    • omymrcxojjzyke-uhfffaoysa-n
  • molecular-weight:
    • 248.281

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality