CHEBI:82262 - Butopyronoxyl

ChEBI IDCHEBI:82262
ChEBI NameButopyronoxyl
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DownloadsMolfile
FormulaC12H18O4
Net Charge0
Average Mass226.272
Monoisotopic Mass226.12051
SMILESCCCCOC(=O)C1=CC(=O)CC(C)(C)O1
InChIInChI=1S/C12H18O4/c1-4-5-6-15-11(14)10-7-9(13)8-12(2,3)16-10/h7H,4-6,8H2,1-3H3
InChIKeyOKIJSNGRQAOIGZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Butopyronoxyl (CHEBI:82262) is a carbonyl compound (CHEBI:36586)
Butopyronoxyl (CHEBI:82262) is a pyrans (CHEBI:26407)
Manual XrefsDatabases
C19142KEGG COMPOUND
1726PPDB
Registry NumbersSources
CAS:532-34-3KEGG COMPOUND