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CHEBI:169562 - 1-Acetylcyclohexyl acetate

ChEBI IDCHEBI:169562
ChEBI Name1-Acetylcyclohexyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H16O3
Net Charge0
Average Mass184.235
Monoisotopic Mass184.10994
SMILESCC(=O)OC1(C(C)=O)CCCCC1
InChIInChI=1S/C10H16O3/c1-8(11)10(13-9(2)12)6-4-3-5-7-10/h3-7H2,1-2H3
InChIKeyGIFAYASOTQVRTG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
1-Acetylcyclohexyl acetate (CHEBI:169562) is a carboxylic ester (CHEBI:33308)
1-Acetylcyclohexyl acetate (CHEBI:169562) is a ketone (CHEBI:17087)
IUPAC Name 
(1-acetylcyclohexyl) acetate
Manual XrefsDatabases
55864ChemSpider
HMDB0039710HMDB
Registry NumbersSources
CAS:52789-73-8ChemIDplus