Difference between revisions of "CPD-16618"

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(Created page with "Category:metabolite == Metabolite CPD-110 == * common-name: ** salicylate * smiles: ** c(c1(=cc=cc=c1o))([o-])=o * inchi-key: ** ygsdefsmjlzeoe-uhfffaoysa-m * molecular-we...")
(Created page with "Category:metabolite == Metabolite CPD-7107 == * common-name: ** deoxycohumulone * smiles: ** cc(=ccc1(=c(c(=c(c(=c1[o-])cc=c(c)c)o)c(c(c)c)=o)o))c * inchi-key: ** kkfizykk...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-110 ==
+
== Metabolite CPD-7107 ==
 
* common-name:
 
* common-name:
** salicylate
+
** deoxycohumulone
 
* smiles:
 
* smiles:
** c(c1(=cc=cc=c1o))([o-])=o
+
** cc(=ccc1(=c(c(=c(c(=c1[o-])cc=c(c)c)o)c(c(c)c)=o)o))c
 
* inchi-key:
 
* inchi-key:
** ygsdefsmjlzeoe-uhfffaoysa-m
+
** kkfizykkqlwbkh-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 137.115
+
** 331.431
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[SALICYLATE-1-MONOOXYGENASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXNQT-4366]]
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* [[RXN-7813]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=salicylate}}
+
{{#set: common-name=deoxycohumulone}}
{{#set: inchi-key=inchikey=ygsdefsmjlzeoe-uhfffaoysa-m}}
+
{{#set: inchi-key=inchikey=kkfizykkqlwbkh-uhfffaoysa-m}}
{{#set: molecular-weight=137.115}}
+
{{#set: molecular-weight=331.431}}

Revision as of 18:54, 14 January 2021

Metabolite CPD-7107

  • common-name:
    • deoxycohumulone
  • smiles:
    • cc(=ccc1(=c(c(=c(c(=c1[o-])cc=c(c)c)o)c(c(c)c)=o)o))c
  • inchi-key:
    • kkfizykkqlwbkh-uhfffaoysa-m
  • molecular-weight:
    • 331.431

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality