Difference between revisions of "DCMP"

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(Created page with "Category:metabolite == Metabolite 4-METHYLCATECHOL == * common-name: ** 4-methylcatechol * smiles: ** cc1(c=cc(o)=c(c=1)o) * inchi-key: ** zbcatmyqydctiz-uhfffaoysa-n * mo...")
(Created page with "Category:metabolite == Metabolite CPD1F-90 == * common-name: ** kaempferol * smiles: ** c3(c=c(o)c=cc(c1(=c([o-])c(=o)c2(c(o)=cc(o)=cc(o1)=2)))=3) * inchi-key: ** iyrmwmyz...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 4-METHYLCATECHOL ==
+
== Metabolite CPD1F-90 ==
 
* common-name:
 
* common-name:
** 4-methylcatechol
+
** kaempferol
 
* smiles:
 
* smiles:
** cc1(c=cc(o)=c(c=1)o)
+
** c3(c=c(o)c=cc(c1(=c([o-])c(=o)c2(c(o)=cc(o)=cc(o1)=2)))=3)
 
* inchi-key:
 
* inchi-key:
** zbcatmyqydctiz-uhfffaoysa-n
+
** iyrmwmyzsqpjkc-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 124.139
+
** 285.232
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-12510]]
 +
* [[RXN-13935]]
 +
* [[RXN1F-461]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-10078]]
+
* [[RXN1F-93]]
* [[RXN-10079]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4-methylcatechol}}
+
{{#set: common-name=kaempferol}}
{{#set: inchi-key=inchikey=zbcatmyqydctiz-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=iyrmwmyzsqpjkc-uhfffaoysa-m}}
{{#set: molecular-weight=124.139}}
+
{{#set: molecular-weight=285.232}}

Revision as of 08:28, 15 March 2021

Metabolite CPD1F-90

  • common-name:
    • kaempferol
  • smiles:
    • c3(c=c(o)c=cc(c1(=c([o-])c(=o)c2(c(o)=cc(o)=cc(o1)=2)))=3)
  • inchi-key:
    • iyrmwmyzsqpjkc-uhfffaoysa-m
  • molecular-weight:
    • 285.232

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality