Difference between revisions of "CPD-15616"

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(Created page with "Category:metabolite == Metabolite CPD-7139 == * common-name: ** delphinidin 3,5-di-o-β-d-glucoside * smiles: ** c(o)c1(c(o)c(o)c(o)c(o1)oc5(c4(c=c(oc2(c(o)c(o)c(o)c(c...")
(Created page with "Category:metabolite == Metabolite CPD-182 == * common-name: ** 4-methylumbelliferone * smiles: ** cc1(=cc(oc2(c=c(o)c=cc1=2))=o) * inchi-key: ** hshnitrmyyllcv-uhfffaoysa-...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-7139 ==
+
== Metabolite CPD-182 ==
 
* common-name:
 
* common-name:
** delphinidin 3,5-di-o-β-d-glucoside
+
** 4-methylumbelliferone
 
* smiles:
 
* smiles:
** c(o)c1(c(o)c(o)c(o)c(o1)oc5(c4(c=c(oc2(c(o)c(o)c(o)c(co)o2))c(c3(c=c(o)c(o)=c(o)c=3))=[o+]c=4c=c([o-])c=5)))
+
** cc1(=cc(oc2(c=c(o)c=cc1=2))=o)
 
* inchi-key:
 
* inchi-key:
** xctgxgvgjyacei-lcenjuansa-n
+
** hshnitrmyyllcv-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 626.524
+
** 176.171
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-8228]]
+
* [[3.1.1.56-RXN]]
 +
* [[RXN-10769]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=delphinidin 3,5-di-o-β-d-glucoside}}
+
{{#set: common-name=4-methylumbelliferone}}
{{#set: inchi-key=inchikey=xctgxgvgjyacei-lcenjuansa-n}}
+
{{#set: inchi-key=inchikey=hshnitrmyyllcv-uhfffaoysa-n}}
{{#set: molecular-weight=626.524}}
+
{{#set: molecular-weight=176.171}}

Revision as of 18:57, 14 January 2021

Metabolite CPD-182

  • common-name:
    • 4-methylumbelliferone
  • smiles:
    • cc1(=cc(oc2(c=c(o)c=cc1=2))=o)
  • inchi-key:
    • hshnitrmyyllcv-uhfffaoysa-n
  • molecular-weight:
    • 176.171

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality