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The Drug Ontology
Last uploaded:
December 20, 2024
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| Preferred Name | benzyl benzoate | |
| Synonyms |
benzoic acid, benzyl ester BENZOIC ACID PHENYLMETHYLESTER benzoic acid, phenylmethyl ester phenylmethyl benzoate Benylate benzyl benzoate |
|
| Definitions |
A benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_41237 |
|
| alternative label |
benzoic acid, benzyl ester BENZOIC ACID PHENYLMETHYLESTER benzoic acid, phenylmethyl ester phenylmethyl benzoate Benylate benzyl benzoate
|
|
| charge |
0
|
|
| database_cross_reference |
Wikipedia:Benzyl_Benzoate PDBeChem:BZM PMID:24761672 PMID:19681271 PMID:18247142 MetaCyc:CPD-6443 PMID:24146308 CAS:120-51-4 HMDB:HMDB0014814 PMID:24520907 Beilstein:2049280 Drug_Central:335 KEGG:D01138 DrugBank:DB00676 Reaxys:2049280 Gmelin:261816 PPDB:1473 VSDB:1473
|
|
| definition |
A benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia.
|
|
| formula |
C14H12O2
|
|
| has characteristic | ||
| has functional parent | ||
| has role | ||
| has_alternative_id |
CHEBI:41230 CHEBI:31267
|
|
| has_exact_synonym |
benzyl benzoate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
benzoic acid, benzyl ester BENZOIC ACID PHENYLMETHYLESTER benzoic acid, phenylmethyl ester phenylmethyl benzoate Benylate
|
|
| has_RxCUI |
19044
|
|
| id |
CHEBI:41237
|
|
| in_subset | ||
| inchi |
InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
|
|
| inchikey |
SESFRYSPDFLNCH-UHFFFAOYSA-N
|
|
| label |
benzyl benzoate
|
|
| mass |
212.24388
|
|
| monoisotopicmass |
212.08373
|
|
| notation |
CHEBI:41237
|
|
| prefLabel |
benzyl benzoate
|
|
| smiles |
O=C(OCc1ccccc1)c1ccccc1
|
|
| subClassOf |
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