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CHEBI:217196 - 2-methylbutyl heptanoate

ChEBI IDCHEBI:217196
ChEBI Name2-methylbutyl heptanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H24O2
Net Charge0
Average Mass200.322
Monoisotopic Mass200.17763
SMILESCCCCCCC(=O)OC[C@@H](C)CC
InChIInChI=1S/C12H24O2/c1-4-6-7-8-9-12(13)14-10-11(3)5-2/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyNEYFHTHRJVQMPA-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Aspergillus clavatus NRRL 1 (ncbitaxon:344612) - PubMed (29765471)
ChEBI Ontology
Outgoing Relation(s)
2-methylbutyl heptanoate (CHEBI:217196) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
2-methylbutyl heptanoate
Manual XrefsDatabases
468288ChemSpider