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CHEBI:172443 - 6-Acetyl-2,2-dimethyl-2H-1-benzopyran

ChEBI IDCHEBI:172443
ChEBI Name6-Acetyl-2,2-dimethyl-2H-1-benzopyran
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O2
Net Charge0
Average Mass202.253
Monoisotopic Mass202.09938
SMILESCC(=O)c1ccc2c(c1)C=CC(C)(C)O2
InChIInChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3
InChIKeyZAJTXVHECZCXLH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
6-Acetyl-2,2-dimethyl-2H-1-benzopyran (CHEBI:172443) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
1-(2,2-dimethylchromen-6-yl)ethanone
Manual XrefsDatabases
HMDB0030816HMDB
154177ChemSpider
Registry NumbersSources
CAS:19013-07-1ChemIDplus