The Drug Ontology

Last uploaded: March 3, 2024

Preferred Name	Isopropylparaben
Synonyms	propan-2-yl 4-hydroxybenzoate
ID	http://purl.obolibrary.org/obo/CHEBI_179285
charge	0
database_cross_reference	Chemspider:18995 KEGG:C20343 CAS:4191-73-5
formula	C10H12O3
has_exact_synonym	propan-2-yl 4-hydroxybenzoate
has_obo_namespace	chebi_ontology
has_RxCUI	1368879
id	CHEBI:179285
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
inchi	InChI=1S/C10H12O3/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3
inchikey	CMHMMKSPYOOVGI-UHFFFAOYSA-N
label	Isopropylparaben ISOPROPYLPARABEN
mass	180.203
monoisotopicmass	180.07864
notation	CHEBI:179285
prefLabel	Isopropylparaben
smiles	O(C(C)C)C(=O)C1=CC=C(O)C=C1
subClassOf	http://purl.obolibrary.org/obo/CHEBI_79323 http://purl.obolibrary.org/obo/OBI_0000047

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_179285	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_179285	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_179285	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_179285	CHEBI	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C92611	NCIT	LOOM
http://purl.obolibrary.org/obo/CHEBI_179285	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_179285	BERO	LOOM
http://purl.obolibrary.org/obo/DRON_00723994	PDRO	LOOM
http://purl.bioontology.org/ontology/RXNORM/1368879	RXNORM	LOOM
http://purl.obolibrary.org/obo/NCIT_C92611	BERO	LOOM