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CHEBI:180839 - 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran

Default Structure
ChEBI IDCHEBI:180839
ChEBI Name6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O2
Net Charge0
Average Mass204.269
Monoisotopic Mass204.11503
SMILESCC(O)c1ccc2c(c1)C=CC(C)(C)O2
InChIInChI=1S/C13H16O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-9,14H,1-3H3
InChIKeyICIIMFRGWJJFIH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
ChEBI Ontology
Outgoing Relation(s)
6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran (CHEBI:180839) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
1-(2,2-dimethylchromen-6-yl)ethanol
Manual XrefsDatabases
137575ChemSpider
HMDB0031553HMDB
Registry NumbersSources
CAS:71822-00-9ChemIDplus