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CHEBI:87326 - 3-methylheptyl acetate

ChEBI IDCHEBI:87326
ChEBI Name3-methylheptyl acetate
Stars
DefinitionThe acetate ester of 3-methylheptanol.
Last Modified2 September 2015
Submitternamrata
DownloadsMolfile
FormulaC10H20O2
Net Charge0
Average Mass172.268
Monoisotopic Mass172.14633
SMILESCCCCC(C)CCOC(C)=O
InChIInChI=1S/C10H20O2/c1-4-5-6-9(2)7-8-12-10(3)11/h9H,4-8H2,1-3H3
InChIKeySFCRZVSQIVWLKR-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-methylheptyl acetate (CHEBI:87326) has role metabolite (CHEBI:25212)
3-methylheptyl acetate (CHEBI:87326) is a acetate ester (CHEBI:47622)
IUPAC Name 
3-methylheptyl acetate