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CHEBI:189978 - Xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one

ChEBI IDCHEBI:189978
ChEBI NameXi-4-Hydroxy-4-methyl-2-cyclohexen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H10O2
Net Charge0
Average Mass126.155
Monoisotopic Mass126.06808
SMILESCC1(O)C=CC(=O)CC1
InChIInChI=1S/C7H10O2/c1-7(9)4-2-6(8)3-5-7/h2,4,9H,3,5H2,1H3
InChIKeyYYSUJSRMFRKVGC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
Xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one (CHEBI:189978) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
4-hydroxy-4-methylcyclohex-2-en-1-one
Manual XrefsDatabases
HMDB0033629HMDB
136956ChemSpider
Registry NumbersSources
CAS:70150-56-0ChemIDplus