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CHEBI:180441 - (2-Hydroxymethyl-cyclohexyl)-acetic acid lactone

ChEBI IDCHEBI:180441
ChEBI Name(2-Hydroxymethyl-cyclohexyl)-acetic acid lactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14O2
Net Charge0
Average Mass154.209
Monoisotopic Mass154.09938
SMILESO=C1CC2CCCCC2CO1
InChIInChI=1S/C9H14O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h7-8H,1-6H2
InChIKeyAYMWCZFEDLLHMI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(2-Hydroxymethyl-cyclohexyl)-acetic acid lactone (CHEBI:180441) is a benzopyran (CHEBI:22727)
IUPAC Name 
1,4,4a,5,6,7,8,8a-octahydroisochromen-3-one
Manual XrefsDatabases
88908ChemSpider
LMFA07040018LIPID MAPS
Registry NumbersSources
CAS:21962-62-9ChemIDplus