Difference between revisions of "SJ17971"

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(Created page with "Category:metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-20693 CPD-20693] == * common-name: ** diatoxanthin * smiles: ** cc(=cc=cc=c(c)c=cc=c(c#cc1(...")
(Created page with "Category:metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-7-DIMETHYLXANTHINE 3-7-DIMETHYLXANTHINE] == * common-name: ** theobromine * smiles: ** cn2(c=...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-20693 CPD-20693] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-7-DIMETHYLXANTHINE 3-7-DIMETHYLXANTHINE] ==
 
* common-name:
 
* common-name:
** diatoxanthin
+
** theobromine
 
* smiles:
 
* smiles:
** cc(=cc=cc=c(c)c=cc=c(c#cc1(=c(c)cc(o)cc(c)(c)1))c)c=cc=c(c)c=cc2(c(c)(c)cc(o)cc(c)=2)
+
** cn2(c=nc1(=c(c(nc(n(c)1)=o)=o)2))
 
* inchi-key:
 
* inchi-key:
** hnyjhqmusvnwpv-drcjtwaysa-n
+
** yapqbxqyljrxsa-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 566.865
+
** 180.166
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-19202]]
+
* [[RXN-11519]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-19200]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=diatoxanthin}}
+
{{#set: common-name=theobromine}}
{{#set: inchi-key=inchikey=hnyjhqmusvnwpv-drcjtwaysa-n}}
+
{{#set: inchi-key=inchikey=yapqbxqyljrxsa-uhfffaoysa-n}}
{{#set: molecular-weight=566.865}}
+
{{#set: molecular-weight=180.166}}

Revision as of 09:23, 27 August 2019

Metabolite 3-7-DIMETHYLXANTHINE

  • common-name:
    • theobromine
  • smiles:
    • cn2(c=nc1(=c(c(nc(n(c)1)=o)=o)2))
  • inchi-key:
    • yapqbxqyljrxsa-uhfffaoysa-n
  • molecular-weight:
    • 180.166

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality