CHEBI:229198 - Propanoic acid, 2-methyl-, 2-ethyl-3-hydroxyhexyl ester

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ChEBI Name Propanoic acid, 2-methyl-, 2-ethyl-3-hydroxyhexyl ester
ChEBI ID CHEBI:229198
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H24O3
Net Charge 0
Average Mass 216.321
Monoisotopic Mass 216.17254
InChI InChI=1S/C12H24O3/c1-5-7-11(13)10(6-2)8-15-12(14)9(3)4/h9-11,13H,5-8H2,1-4H3
InChIKey QQRIGCXMIPFTKR-UHFFFAOYSA-N
SMILES OC(C(CC)COC(=O)C(C)C)CCC
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing Propanoic acid, 2-methyl-, 2-ethyl-3-hydroxyhexyl ester (CHEBI:229198) is a carboxylic ester (CHEBI:33308)
IUPAC Name
(2-ethyl-3-hydroxyhexyl) 2-methylpropanoate
Manual Xref Database
455811 ChemSpider
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