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CHEBI:168879 - Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene

ChEBI IDCHEBI:168879
ChEBI NameBis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O5
Net Charge0
Average Mass320.385
Monoisotopic Mass320.16237
SMILESCc1ccc(C2(COC(=O)C(C)C)CO2)c(OC(=O)C(C)C)c1
InChIInChI=1S/C18H24O5/c1-11(2)16(19)21-9-18(10-22-18)14-7-6-13(5)8-15(14)23-17(20)12(3)4/h6-8,11-12H,9-10H2,1-5H3
InChIKeyOLARKEMZPWGFJU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene (CHEBI:168879) is a benzoate ester (CHEBI:36054)
Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene (CHEBI:168879) is a phenols (CHEBI:33853)
IUPAC Name 
[2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylpropanoate
Manual XrefsDatabases
HMDB0032698HMDB
9647499ChemSpider