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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | Phenyl butyrate | |
| Synonyms |
phenyl butanoate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_180407 |
|
| alternative term |
phenyl butanoate
|
|
| charge |
0
|
|
| database_cross_reference |
CAS:4346-18-3 HMDB:HMDB0041612 Chemspider:19172
|
|
| formula |
C10H12O2
|
|
| has_exact_synonym |
phenyl butanoate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| id |
CHEBI:180407
|
|
| in_subset | ||
| inchi |
InChI=1S/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
|
|
| inchikey |
IGVPBCZDHMIOJH-UHFFFAOYSA-N
|
|
| label |
Phenyl butyrate
|
|
| mass |
164.204
|
|
| monoisotopicmass |
164.08373
|
|
| notation |
CHEBI:180407
|
|
| prefLabel |
Phenyl butyrate
|
|
| smiles |
O(C(=O)CCC)C1=CC=CC=C1
|
|
| subClassOf |
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