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Neuroscience Information Framework (NIF) Standard Ontology
Last uploaded:
February 10, 2018
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| Preferred Name | benzyl benzoate | |
| Synonyms |
Benylate benzoic acid, benzyl ester benzoic acid, phenylmethyl ester phenylmethyl benzoate BENZOIC ACID PHENYLMETHYLESTER 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 |
Benylate benzoic acid, benzyl ester benzoic acid, phenylmethyl ester phenylmethyl benzoate BENZOIC ACID PHENYLMETHYLESTER benzyl benzoate
|
|
| charge |
0
|
|
| database_cross_reference |
Beilstein:2049280 PMID:24520907 VSDB:1473 DrugBank:DB00676 PDBeChem:BZM Wikipedia:Benzyl_Benzoate PMID:19681271 PMID:24146308 HMDB:HMDB0014814 MetaCyc:CPD-6443 PMID:24761672 PPDB:1473 Drug_Central:335 Reaxys:2049280 CAS:120-51-4 PMID:18247142 Gmelin:261816 KEGG:D01138
|
|
| 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 exact synonym |
benzyl benzoate
|
|
| has functional parent | ||
| has role | ||
| has_alternative_id |
CHEBI:41230 CHEBI:31267
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Benylate benzoic acid, benzyl ester benzoic acid, phenylmethyl ester phenylmethyl benzoate BENZOIC ACID PHENYLMETHYLESTER
|
|
| 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
|
|
| note |
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.
|
|
| preferred label |
benzyl benzoate
|
|
| prefLabel |
benzyl benzoate
|
|
| smiles |
O=C(OCc1ccccc1)c1ccccc1
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| subClassOf |
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