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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | methyl salicylate | |
| Synonyms |
Teaberry oil 2-(Methoxycarbonyl)phenol Betula oil Oil of wintergreen Sweet birch oil 2-Carbomethoxyphenol Gaultheria oil Natural wintergreen oil Methyl o-hydroxybenzoate Methyl 2-hydroxybenzoate Spicewood Oil 2-Hydroxybenzoic acid methyl ester methyl salicylate |
|
| Definitions |
A benzoate ester that is the methyl ester of salicylic acid. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31832 |
|
| charge |
0
|
|
| database_cross_reference |
KEGG:D01087 PMID:21609308 PMID:21404848 PMID:21327960 Reaxys:971516 KNApSAcK:C00030767 PMID:21249432 PMID:21936953 PMID:21790190 Wikipedia:Methyl_salicylate KEGG:C12305 PMID:21287406 CAS:119-36-8 Drug_Central:4245
|
|
| definition |
A benzoate ester that is the methyl ester of salicylic acid.
|
|
| formula |
C8H8O3
|
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35617 |
|
| has_exact_synonym |
methyl salicylate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Teaberry oil 2-(Methoxycarbonyl)phenol Betula oil Oil of wintergreen Sweet birch oil 2-Carbomethoxyphenol Gaultheria oil Natural wintergreen oil Methyl o-hydroxybenzoate Methyl 2-hydroxybenzoate Spicewood Oil 2-Hydroxybenzoic acid methyl ester
|
|
| id |
CHEBI:31832
|
|
| in_subset | ||
| inchi |
InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
|
|
| inchikey |
OSWPMRLSEDHDFF-UHFFFAOYSA-N
|
|
| label |
methyl salicylate
|
|
| mass |
152.14730
|
|
| monoisotopicmass |
152.04734
|
|
| notation |
CHEBI:31832
|
|
| prefLabel |
methyl salicylate
|
|
| smiles |
COC(=O)c1ccccc1O
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_26596 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_26596 |
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