Difference between revisions of "SJ05295"

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(Created page with "Category:metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=NN-DIMETHYLANILINE NN-DIMETHYLANILINE] == * common-name: ** n,n-dimethylaniline * smiles: ** cn...")
(Created page with "Category:metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9460 CPD-9460] == * common-name: ** oleanolate 3 β-d-glucuronoside * smiles: ** cc6(cc...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=NN-DIMETHYLANILINE NN-DIMETHYLANILINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9460 CPD-9460] ==
 
* common-name:
 
* common-name:
** n,n-dimethylaniline
+
** oleanolate 3 β-d-glucuronoside
 
* smiles:
 
* smiles:
** cn(c1(c=cc=cc=1))c
+
** cc6(ccc5(ccc1(c(=cc[ch]2(c1(cc[ch]3(c2(ccc(c3(c)c)oc4(c(c(c(c(o4)c(=o)[o-])o)o)o))c))c))[ch]5c6)c)c(=o)[o-])c
 
* inchi-key:
 
* inchi-key:
** jltdjthdqawbav-uhfffaoysa-n
+
** iuchkmazawjnbj-rcyxvvtdsa-l
 
* molecular-weight:
 
* molecular-weight:
** 121.182
+
** 630.817
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[1.14.13.8-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-9000]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=n,n-dimethylaniline}}
+
{{#set: common-name=oleanolate 3 β-d-glucuronoside}}
{{#set: inchi-key=inchikey=jltdjthdqawbav-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=iuchkmazawjnbj-rcyxvvtdsa-l}}
{{#set: molecular-weight=121.182}}
+
{{#set: molecular-weight=630.817}}

Revision as of 09:24, 27 August 2019

Metabolite CPD-9460

  • common-name:
    • oleanolate 3 β-d-glucuronoside
  • smiles:
    • cc6(ccc5(ccc1(c(=cc[ch]2(c1(cc[ch]3(c2(ccc(c3(c)c)oc4(c(c(c(c(o4)c(=o)[o-])o)o)o))c))c))[ch]5c6)c)c(=o)[o-])c
  • inchi-key:
    • iuchkmazawjnbj-rcyxvvtdsa-l
  • molecular-weight:
    • 630.817

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality