Difference between revisions of "SCOPOLIN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLIN SCOPOLIN] == * smiles: ** COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O))) * inc...")
 
Line 3: Line 3:
 
* smiles:
 
* smiles:
 
** COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))
 
** COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))
 +
* molecular weight:
 +
** 354.313   
 
* inchi key:
 
* inchi key:
 
** InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N
 
** InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N
 
* common name:
 
* common name:
 
** scopolin
 
** scopolin
−
* molecular weight:
 
−
** 354.313   
 
 
* Synonym(s):
 
* Synonym(s):
  
Line 16: Line 16:
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* NCI:
+
* METABOLIGHTS : MTBLC16065
−
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=404560 404560]
+
 
* CAS : 531-44-2
 
* CAS : 531-44-2
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439514 439514]
 
−
* LIGAND-CPD:
 
−
** [http://www.genome.jp/dbget-bin/www_bget?C01527 C01527]
 
 
* CHEMSPIDER:
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.307225.html 307225]
 
** [http://www.chemspider.com/Chemical-Structure.307225.html 307225]
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16065 16065]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16065 16065]
−
* METABOLIGHTS : MTBLC16065
+
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C01527 C01527]
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439514 439514]
 +
* NCI:
 +
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=404560 404560]
 
{{#set: smiles=COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))}}
 
{{#set: smiles=COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))}}
 +
{{#set: molecular weight=354.313    }}
 
{{#set: inchi key=InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N}}
 
{{#set: inchi key=InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N}}
 
{{#set: common name=scopolin}}
 
{{#set: common name=scopolin}}
−
{{#set: molecular weight=354.313    }}
 
 
{{#set: consumed by=RXN-14179}}
 
{{#set: consumed by=RXN-14179}}

Latest revision as of 17:25, 9 January 2019

Metabolite SCOPOLIN

  • smiles:
    • COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))
  • molecular weight:
    • 354.313
  • inchi key:
    • InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N
  • common name:
    • scopolin
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links



Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=SCOPOLIN&oldid=21716"