Difference between revisions of "CPD-6442"

Revision as of 16:58, 23 May 2018

smiles:
- COC(C1(C=CC=CC=1O))=O
inchi key:
- InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N
common name:
- methylsalicylate
molecular weight:
- 152.149
Synonym(s):
- salicylate methyl ester
- methyl salicylate
- 1-O-methylsalicylate

@@ Line 1: / Line 1: @@
 [[Category:Metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=Carotenoid-psi-end-group Carotenoid-psi-end-group] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6442 CPD-6442] ==
+* smiles:
+** COC(C1(C=CC=CC=1O))=O
+* inchi key:
+** InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N
 * common name:
-** a carotenoid &psi;-end group
+** methylsalicylate
+* molecular weight:
+** 152.149
 * Synonym(s):
+** salicylate methyl ester
+** methyl salicylate
+** 1-O-methylsalicylate
 == Reaction(s) known to consume the compound ==
+* [[RXNQT-4366]]
 == Reaction(s) known to produce the compound ==
 == Reaction(s) of unknown directionality ==
-* [[RXN-12496]]
 == External links  ==
-{{#set: common name=a carotenoid &psi;-end group}}
+* PUBCHEM:
-{{#set: consumed or produced by=RXN-12496}}
+** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4133 4133]
+* HMDB : HMDB34172
+* LIGAND-CPD:
+** [http://www.genome.jp/dbget-bin/www_bget?C12305 C12305]
+* CHEMSPIDER:
+** [http://www.chemspider.com/Chemical-Structure.13848808.html 13848808]
+* CHEBI:
+** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=31832 31832]
+* METABOLIGHTS : MTBLC31832
+{{#set: smiles=COC(C1(C=CC=CC=1O))=O}}
+{{#set: inchi key=InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N}}
+{{#set: common name=methylsalicylate}}
+{{#set: molecular weight=152.149    }}
+{{#set: common name=salicylate methyl ester|methyl salicylate|1-O-methylsalicylate}}
+{{#set: consumed by=RXNQT-4366}}