Difference between revisions of "CPD-12565"

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(Created page with "Category:metabolite == Metabolite CPD-712 == * common-name: ** 6-deoxocathasterone * smiles: ** cc(c)c(c)cc(o)c(c)[ch]3(cc[ch]4([ch]2(cc[ch]1(cc(o)ccc(c)1[ch]2ccc(c)34))))...")
(Created page with "Category:metabolite == Metabolite CPDMETA-13652 == * common-name: ** raucaffrinoline * smiles: ** cc3(n5(c2(c1(=nc6(=cc=cc=c(c41(c(c(c(c2)c(co)3)c(c4)5)oc(=o)c))6))))) * i...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-712 ==
+
== Metabolite CPDMETA-13652 ==
 
* common-name:
 
* common-name:
** 6-deoxocathasterone
+
** raucaffrinoline
 
* smiles:
 
* smiles:
** cc(c)c(c)cc(o)c(c)[ch]3(cc[ch]4([ch]2(cc[ch]1(cc(o)ccc(c)1[ch]2ccc(c)34))))
+
** cc3(n5(c2(c1(=nc6(=cc=cc=c(c41(c(c(c(c2)c(co)3)c(c4)5)oc(=o)c))6)))))
 
* inchi-key:
 
* inchi-key:
** zhzkwzjlunxosn-yuzbouazsa-n
+
** ximpcxfldskalh-vqhwpedhsa-n
 
* molecular-weight:
 
* molecular-weight:
** 418.702
+
** 352.432
 
== 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-773]]
+
* [[RXN-12673]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=6-deoxocathasterone}}
+
{{#set: common-name=raucaffrinoline}}
{{#set: inchi-key=inchikey=zhzkwzjlunxosn-yuzbouazsa-n}}
+
{{#set: inchi-key=inchikey=ximpcxfldskalh-vqhwpedhsa-n}}
{{#set: molecular-weight=418.702}}
+
{{#set: molecular-weight=352.432}}

Revision as of 08:27, 15 March 2021

Metabolite CPDMETA-13652

  • common-name:
    • raucaffrinoline
  • smiles:
    • cc3(n5(c2(c1(=nc6(=cc=cc=c(c41(c(c(c(c2)c(co)3)c(c4)5)oc(=o)c))6)))))
  • inchi-key:
    • ximpcxfldskalh-vqhwpedhsa-n
  • molecular-weight:
    • 352.432

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality