Difference between revisions of "SCOPOLETIN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLETIN SCOPOLETIN] == * smiles: ** COC2(C=C1(C(OC(=O)C=C1)=CC=2O)) * common name: ** scopol...")
 
 
Line 3: Line 3:
 
* smiles:
 
* smiles:
 
** COC2(C=C1(C(OC(=O)C=C1)=CC=2O))
 
** COC2(C=C1(C(OC(=O)C=C1)=CC=2O))
−
* common name:
 
−
** scopoletin
 
−
* inchi key:
 
−
** InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N
 
 
* molecular weight:
 
* molecular weight:
 
** 192.171     
 
** 192.171     
 +
* inchi key:
 +
** InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N
 +
* common name:
 +
** scopoletin
 
* Synonym(s):
 
* Synonym(s):
  
Line 16: Line 16:
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280460 5280460]
 
 
* NCI:
 
* NCI:
 
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=405647 405647]
 
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=405647 405647]
−
* HMDB : HMDB34344
 
−
* LIGAND-CPD:
 
−
** [http://www.genome.jp/dbget-bin/www_bget?C01752 C01752]
 
 
* CHEMSPIDER:
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.4444113.html 4444113]
 
** [http://www.chemspider.com/Chemical-Structure.4444113.html 4444113]
 +
* REFMET : Scopoletin
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280460 5280460]
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17488 17488]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17488 17488]
 +
* HMDB : HMDB34344
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C01752 C01752]
 
* METABOLIGHTS : MTBLC17488
 
* METABOLIGHTS : MTBLC17488
 
{{#set: smiles=COC2(C=C1(C(OC(=O)C=C1)=CC=2O))}}
 
{{#set: smiles=COC2(C=C1(C(OC(=O)C=C1)=CC=2O))}}
−
{{#set: common name=scopoletin}}
 
−
{{#set: inchi key=InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N}}
 
 
{{#set: molecular weight=192.171    }}
 
{{#set: molecular weight=192.171    }}
 +
{{#set: inchi key=InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N}}
 +
{{#set: common name=scopoletin}}
 
{{#set: produced by=RXN-14179}}
 
{{#set: produced by=RXN-14179}}

Latest revision as of 14:34, 10 January 2019

Metabolite SCOPOLETIN

  • smiles:
    • COC2(C=C1(C(OC(=O)C=C1)=CC=2O))
  • molecular weight:
    • 192.171
  • inchi key:
    • InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N
  • common name:
    • scopoletin
  • 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/sjapgem/index.php?title=SCOPOLETIN&oldid=19249"