EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:167856 - 5-hydroxy-3-(hydroxymethyl)-6-isopropyl-2-oxo-3-cyclohexen-1-yl 3-methylpentanoate

ChEBI IDCHEBI:167856
ChEBI Name5-hydroxy-3-(hydroxymethyl)-6-isopropyl-2-oxo-3-cyclohexen-1-yl 3-methylpentanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O5
Net Charge0
Average Mass298.379
Monoisotopic Mass298.17802
SMILESCCC(C)CC(=O)OC1C(=O)C(CO)=CC(O)C1C(C)C
InChIInChI=1S/C16H26O5/c1-5-10(4)6-13(19)21-16-14(9(2)3)12(18)7-11(8-17)15(16)20/h7,9-10,12,14,16-18H,5-6,8H2,1-4H3
InChIKeyBUOADWXGPJXKRM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
5-hydroxy-3-(hydroxymethyl)-6-isopropyl-2-oxo-3-cyclohexen-1-yl 3-methylpentanoate (CHEBI:167856) is a p-menthane monoterpenoid (CHEBI:25186)
IUPAC Name 
[5-hydroxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate
Manual XrefsDatabases
22370182ChemSpider