Difference between revisions of "COUMARIN"

Latest revision as of 19:59, 21 March 2018

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 [[Category:Metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DNA-N4-Methylcytosine DNA-N4-Methylcytosine] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COUMARIN COUMARIN] ==
+* smiles:
+** C1(OC2(=CC=CC=C(C=C1)2))=O
+* inchi key:
+** InChIKey=ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
 * common name:
-** an N4-methylcytosine in DNA
+** coumarin
+* molecular weight:
+** 146.145
 * Synonym(s):
-** a DNA-N4-methylcytosine
+** cumarin
+** 1,2-benzopyrone
 == Reaction(s) known to consume the compound ==
 == Reaction(s) known to produce the compound ==
-* [[2.1.1.113-RXN]]
+* [[RXN-8037]]
 == Reaction(s) of unknown directionality ==
 == External links  ==
-{{#set: common name=an N4-methylcytosine in DNA}}
+* DRUGBANK : DB04665
-{{#set: common name=a DNA-N4-methylcytosine}}
+* PUBCHEM:
-{{#set: produced by=2.1.1.113-RXN}}
+** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=323 323]
+* HMDB : HMDB01218
+* LIGAND-CPD:
+** [http://www.genome.jp/dbget-bin/www_bget?C05851 C05851]
+* CHEMSPIDER:
+** [http://www.chemspider.com/Chemical-Structure.13848793.html 13848793]
+* CHEBI:
+** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28794 28794]
+* METABOLIGHTS : MTBLC28794
+{{#set: smiles=C1(OC2(=CC=CC=C(C=C1)2))=O}}
+{{#set: inchi key=InChIKey=ZYGHJZDHTFUPRJ-UHFFFAOYSA-N}}
+{{#set: common name=coumarin}}
+{{#set: molecular weight=146.145    }}
+{{#set: common name=cumarin|1,2-benzopyrone}}
+{{#set: produced by=RXN-8037}}