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CHEBI:207848 - 11-(15-butyl-13-ethyl-tetrahydro-12-oxo-2H-pyran-13-yl) propyl-2-methylbenzoate

ChEBI IDCHEBI:207848
ChEBI Name11-(15-butyl-13-ethyl-tetrahydro-12-oxo-2H-pyran-13-yl) propyl-2-methylbenzoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O4
Net Charge0
Average Mass360.494
Monoisotopic Mass360.23006
SMILESCCCC[C@H]1C[C@H](CC)OC(=O)[C@@H]1CCCOC(=O)c1ccccc1C
InChIInChI=1S/C22H32O4/c1-4-6-11-17-15-18(5-2)26-22(24)20(17)13-9-14-25-21(23)19-12-8-7-10-16(19)3/h7-8,10,12,17-18,20H,4-6,9,11,13-15H2,1-3H3/t17-,18-,20+/m0/s1
InChIKeyQFDPSZWFISIFKH-CMKODMSKSA-N
Species of MetaboliteComponentSourceComments
Bacillus amyloliquefaciens (ncbitaxon:1390) - PubMed (28842846)
ChEBI Ontology
Outgoing Relation(s)
11-(15-butyl-13-ethyl-tetrahydro-12-oxo-2H-pyran-13-yl) propyl-2-methylbenzoate (CHEBI:207848) is a benzoate ester (CHEBI:36054)
IUPAC Name 
3-[(3R,4S,6S)-4-butyl-6-ethyl-2-oxooxan-3-yl]propyl 2-methylbenzoate
Manual XrefsDatabases
71048658ChemSpider