CHEBI:169562 - 1-Acetylcyclohexyl acetate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1-Acetylcyclohexyl acetate
ChEBI ID CHEBI:169562
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C10H16O3
Net Charge 0
Average Mass 184.235
Monoisotopic Mass 184.10994
InChI InChI=1S/C10H16O3/c1-8(11)10(13-9(2)12)6-4-3-5-7-10/h3-7H2,1-2H3
InChIKey GIFAYASOTQVRTG-UHFFFAOYSA-N
SMILES O(C1(CCCCC1)C(=O)C)C(=O)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
55864 ChemSpider
HMDB0039710 HMDB
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Registry Number Type Source
52789-73-8 CAS Registry Number ChemIDplus