4,6-Decadiyn-1-ol isovalerate (CHEBI:168311)

CHEBI:168311 - 4,6-Decadiyn-1-ol isovalerate

Formula	C15H22O2
Net Charge	0
Average Mass	234.339
Monoisotopic Mass	234.16198
SMILES	CCCC#CC#CCCCOC(=O)CC(C)C
InChI	InChI=1S/C15H22O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h14H,4-5,10-13H2,1-3H3
InChIKey	NVMLEKVHEUTCIU-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

ChEBI Ontology

Outgoing Relation(s)
	4,6-Decadiyn-1-ol isovalerate (CHEBI:168311) is a carboxylic ester (CHEBI:33308)

IUPAC Name
deca-4,6-diynyl 3-methylbutanoate