CHEBI:173230 - 3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene

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ChEBI Name 3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene
ChEBI ID CHEBI:173230
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H26O5
Net Charge 0
Average Mass 334.412
Monoisotopic Mass 334.17802
InChI InChI=1S/C19H26O5/c1-6-14(5)18(21)22-10-19(11-23-19)15-8-7-13(4)9-16(15)24-17(20)12(2)3/h7-9,12,14H,6,10-11H2,1-5H3
InChIKey DBEFONQGRSUFQO-UHFFFAOYSA-N
SMILES O1C(C1)(COC(=O)C(CC)C)C2=C(OC(=O)C(C)C)C=C(C=C2)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene (CHEBI:173230) is a benzoate ester (CHEBI:36054)
3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene (CHEBI:173230) is a phenols (CHEBI:33853)
IUPAC Name
[2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbutanoate
Manual Xrefs Databases
314387 ChemSpider
HMDB0032699 HMDB
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