Chemical Entities of Biological Interest Ontology

Last uploaded: December 1, 2024

Preferred Name	Phenyl butyrate
Synonyms	phenyl butanoate
ID	http://purl.obolibrary.org/obo/CHEBI_180407
charge	0
database_cross_reference	Chemspider:19172 HMDB:HMDB0041612 CAS:4346-18-3
formula	C10H12O2
has_exact_synonym	phenyl butanoate
has_obo_namespace	chebi_ontology
id	CHEBI:180407
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
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
treeView	http://purl.obolibrary.org/obo/CHEBI_33853 http://purl.obolibrary.org/obo/CHEBI_36054
subClassOf	http://purl.obolibrary.org/obo/CHEBI_33853 http://purl.obolibrary.org/obo/CHEBI_36054

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_180407	BERO	SAME_URI
http://purl.obolibrary.org/obo/DRON_00016989	DRON	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/782571009	SNOMEDCT	LOOM
http://purl.obolibrary.org/obo/CHEBI_180407	BERO	LOOM
http://purl.bioontology.org/ontology/RXNORM/81647	RXNORM	LOOM
http://purl.bioontology.org/ontology/NDDF/005954	NDDF	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0031465	OCHV	LOOM
http://purl.bioontology.org/ontology/RXNORM/1545685	RXNORM	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#27383	OCHV	LOOM
http://purl.bioontology.org/ontology/CSP/5000-0015	CRISP	LOOM
http://purl.obolibrary.org/obo/DRON_00016989	PDRO	LOOM
http://purl.obolibrary.org/obo/DRON_00016989	DDSS	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0281398	OCHV	LOOM