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CHEBI:229402 - 2,4a-Epidioxy-5,6,7,8-tetrahydro-2,5,5,8a-tetramethyl-2H-1-benzopyran

ChEBI IDCHEBI:229402
ChEBI Name2,4a-Epidioxy-5,6,7,8-tetrahydro-2,5,5,8a-tetramethyl-2H-1-benzopyran
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O3
Net Charge0
Average Mass224.300
Monoisotopic Mass224.14124
SMILESCC12C=CC3(OO1)C(C)(C)CCCC3(C)O2
InChIInChI=1S/C13H20O3/c1-10(2)6-5-7-11(3)13(10)9-8-12(4,14-11)15-16-13/h8-9H,5-7H2,1-4H3
InChIKeyQTULXQSVAHJZRF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryctolagus cuniculus (ncbitaxon:9986) longissimus thoracis (BTO:0001651) MetaboLights (MTBLS8958)
ChEBI Ontology
Outgoing Relation(s)
2,4a-Epidioxy-5,6,7,8-tetrahydro-2,5,5,8a-tetramethyl-2H-1-benzopyran (CHEBI:229402) is a trioxane (CHEBI:38044)
IUPAC Name 
2,2,6,8-tetramethyl-7,9,10-trioxatricyclo[6.2.2.01,6]dodec-11-ene
Manual XrefsDatabases
522313ChemSpider