Difference between revisions of "CPD-5161"

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(Created page with "Category:metabolite == Metabolite CPD-710 == * common-name: ** campestanol * smiles: ** cc(c)c(c)ccc(c)[ch]3(cc[ch]4([ch]2(cc[ch]1(cc(o)ccc(c)1[ch]2ccc(c)34)))) * inchi-ke...")
(Created page with "Category:metabolite == Metabolite SCOPOLETIN == * common-name: ** scopoletin * smiles: ** coc2(c=c1(c(oc(=o)c=c1)=cc=2o)) * inchi-key: ** rodxrvnmmdrfik-uhfffaoysa-n * mol...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-710 ==
+
== Metabolite SCOPOLETIN ==
 
* common-name:
 
* common-name:
** campestanol
+
** scopoletin
 
* smiles:
 
* smiles:
** cc(c)c(c)ccc(c)[ch]3(cc[ch]4([ch]2(cc[ch]1(cc(o)ccc(c)1[ch]2ccc(c)34))))
+
** coc2(c=c1(c(oc(=o)c=c1)=cc=2o))
 
* inchi-key:
 
* inchi-key:
** arytxmneanmlmu-atedbjntsa-n
+
** rodxrvnmmdrfik-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 402.702
+
** 192.171
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-773]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-14179]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=campestanol}}
+
{{#set: common-name=scopoletin}}
{{#set: inchi-key=inchikey=arytxmneanmlmu-atedbjntsa-n}}
+
{{#set: inchi-key=inchikey=rodxrvnmmdrfik-uhfffaoysa-n}}
{{#set: molecular-weight=402.702}}
+
{{#set: molecular-weight=192.171}}

Revision as of 13:07, 14 January 2021

Metabolite SCOPOLETIN

  • common-name:
    • scopoletin
  • smiles:
    • coc2(c=c1(c(oc(=o)c=c1)=cc=2o))
  • inchi-key:
    • rodxrvnmmdrfik-uhfffaoysa-n
  • molecular-weight:
    • 192.171

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality