{"@context":{"obo_purl":"http://purl.obolibrary.org/obo/","rdf":"http://www.w3.org/1999/02/22-rdf-syntax-ns#","owl":"http://www.w3.org/2002/07/owl#","rdfs":"http://www.w3.org/2000/01/rdf-schema#","skos":"http://www.w3.org/2004/02/skos/core#","oboinowl_gen":"http://www.geneontology.org/formats/oboInOwl#","ns0":"http://purl.obolibrary.org/obo/chebi#","metadata_def":"http://data.bioontology.org/metadata/def/","ns1":"http://purl.obolibrary.org/obo/chebi/"},"@id":"obo_purl:CHEBI_73224","@type":"owl:Class","rdfs:subClassOf":{"@id":"obo_purl:CHEBI_52221"},"rdfs:label":["allyl isothiocyanate",{"@type":"http://www.w3.org/XML/1998/namespacestring","@value":"allyl isothiocyanate"}],"skos:notation":"CHEBI:73224","obo_purl:IAO_0000115":"An isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi.","oboinowl_gen:hasExactSynonym":["3-isothiocyanatoprop-1-ene","allyl isothiocyanate"],"oboinowl_gen:hasDbXref":["CAS:57-06-7","HMDB:HMDB0005843","KEGG:C19317","KEGG:D02818","PMID:20174640","PMID:21237300","PMID:21711355","PMID:22093285","PMID:22104119","PMID:22131350","PMID:22265303","PMID:23008020","PMID:23072699","PMID:23212023","PMID:23470258","PMID:23535540","PMID:23757176","Reaxys:773748","Wikipedia:Allyl_isothiocyanate"],"oboinowl_gen:hasOBONamespace":"chebi_ontology","oboinowl_gen:id":"CHEBI:73224","oboinowl_gen:inSubset":{"@id":"ns0:3_STAR"},"metadata_def:prefLabel":"allyl isothiocyanate","oboinowl_gen:hasRelatedSynonym":["2-propenyl isothiocyanate","3-Isothiocyanato-1-propene","3-isothiocyanato-1-propene","AIT","AITC","Allylsenfoel","Mustard oil","Senf oel","allyl isosulfocyanate","allyl mustard oil","isothiocyanate d'allyle","isothiocyanic acid allyl ester","oil of mustard","oleum sinapis","volatile mustard oil","volatile oil of mustard"],"metadata_def:mappingLoom":"allylisothiocyanate","metadata_def:mappingSameURI":{"@id":"obo_purl:CHEBI_73224"},"ns1:charge":"0","ns1:formula":"C4H5NS","ns1:inchi":"InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2","ns1:inchikey":"ZOJBYZNEUISWFT-UHFFFAOYSA-N","ns1:mass":"99.15400","ns1:monoisotopicmass":"99.01427","ns1:smiles":"C=CCN=C=S"}