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CHEBI:183720 - 3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one

ChEBI IDCHEBI:183720
ChEBI Name3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H14N2O
Net Charge0
Average Mass154.213
Monoisotopic Mass154.11061
SMILESCN1N=C(C(C)(C)C)CC1=O
InChIInChI=1S/C8H14N2O/c1-8(2,3)6-5-7(11)10(4)9-6/h5H2,1-4H3
InChIKeyQTLHXZDNJCSMMQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one (CHEBI:183720) is a pyrazoles (CHEBI:26410)
IUPAC Name 
5-tert-butyl-2-methyl-4H-pyrazol-3-one
Manual XrefsDatabases
2017372ChemSpider