Decanoic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester (CHEBI:215786)

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CHEBI:215786 - Decanoic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester

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ChEBI ID	CHEBI:215786
ChEBI Name	Decanoic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H30O4
Net Charge	0
Average Mass	286.412
Monoisotopic Mass	286.21441
SMILES	CCCCCCCCCC(=O)OC[C@H]1COC(C)(C)O1
InChI	InChI=1S/C16H30O4/c1-4-5-6-7-8-9-10-11-15(17)18-12-14-13-19-16(2,3)20-14/h14H,4-13H2,1-3H3/t14-/m0/s1
InChIKey	KRBSCYNTGIRIAV-AWEZNQCLSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus terreus (ncbitaxon:33178)	-	DOI (10.1007/s10600-018-2366-3)

ChEBI Ontology

Outgoing Relation(s)
	Decanoic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester (CHEBI:215786) is a fatty acid ester (CHEBI:35748)

IUPAC Name
[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl decanoate

Manual Xrefs	Databases
149996	ChemSpider