The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/dinto_DB02740 http://purl.obolibrary.org/obo/dinto_DB02740
Preferred Name	3-indolebutyric acid
Synonyms	4-(1H-indol-3-yl)butanoic acid C12H13NO2
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	3-indolebutyric acid
label	3-indolebutyric acid
type	http://www.w3.org/2002/07/owl#Class
InChIKey	InChIKey=JTEDVYBZBROSJT-UHFFFAOYSA-N
Synonym	4-(1H-indol-3-yl)butanoic acid C12H13NO2
xref	PubChem Substance:46505244 PDB:3IB ChEBI:33070 PubChem Compound:8617 ChemSpider:8298
CASRN	133-32-4
prefixIRI	obo2:dinto_DB02740
related with	http://purl.obolibrary.org/obo/dinto_2341 http://purl.obolibrary.org/obo/dinto_1305 http://purl.obolibrary.org/obo/dinto_1524 http://purl.obolibrary.org/obo/dinto_1271 http://purl.obolibrary.org/obo/dinto_1272
SMILES	OC(=O)CCCC1=CNC2=C1C=CC=C2
InChI	InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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