Difference between revisions of "CPD-3061"

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(Created page with "Category:metabolite == Metabolite HOMO-CIS-ACONITATE == * common-name: ** cis-homoaconitate * smiles: ** c(=o)([o-])c=c(ccc([o-])=o)c(=o)[o-] * inchi-key: ** bjypzfuwwjsak...")
(Created page with "Category:metabolite == Metabolite CPD-3061 == * common-name: ** (2s)-liquiritigenin * smiles: ** c1(c=c(c=cc=1c3(oc2(=cc(=cc=c2c(c3)=o)o)))o) * inchi-key: ** furuxtvzlhccn...")
 
(5 intermediate revisions by 2 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite HOMO-CIS-ACONITATE ==
+
== Metabolite CPD-3061 ==
 
* common-name:
 
* common-name:
** cis-homoaconitate
+
** (2s)-liquiritigenin
 
* smiles:
 
* smiles:
** c(=o)([o-])c=c(ccc([o-])=o)c(=o)[o-]
+
** c1(c=c(c=cc=1c3(oc2(=cc(=cc=c2c(c3)=o)o)))o)
 
* inchi-key:
 
* inchi-key:
** bjypzfuwwjsakc-arjawskdsa-k
+
** furuxtvzlhccna-aweznqclsa-n
 
* molecular-weight:
 
* molecular-weight:
** 185.113
+
** 256.257
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[HOMOACONITATE-HYDRATASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[HOMOACONITATE-HYDRATASE-RXN]]
+
* [[RXN-3221]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=cis-homoaconitate}}
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{{#set: common-name=(2s)-liquiritigenin}}
{{#set: inchi-key=inchikey=bjypzfuwwjsakc-arjawskdsa-k}}
+
{{#set: inchi-key=inchikey=furuxtvzlhccna-aweznqclsa-n}}
{{#set: molecular-weight=185.113}}
+
{{#set: molecular-weight=256.257}}

Latest revision as of 11:16, 18 March 2021

Metabolite CPD-3061

  • common-name:
    • (2s)-liquiritigenin
  • smiles:
    • c1(c=c(c=cc=1c3(oc2(=cc(=cc=c2c(c3)=o)o)))o)
  • inchi-key:
    • furuxtvzlhccna-aweznqclsa-n
  • molecular-weight:
    • 256.257

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality