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CHEBI:53177 - β-cyclocitral

ChEBI IDCHEBI:53177
ChEBI Nameβ-cyclocitral
Stars
ASCII Namebeta-cyclocitral
DefinitionA monoterpenoid formally derived from citral by cyclisation. It is a volatile compound produced by a cyanobacteria.
Last Modified23 October 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H16O
Net Charge0
Average Mass152.237
Monoisotopic Mass152.12012
SMILESCC1=C(C=O)C(C)(C)CCC1
InChIInChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
InChIKeyMOQGCGNUWBPGTQ-UHFFFAOYSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
β-cyclocitral (CHEBI:53177) has role bacterial metabolite (CHEBI:76969)
β-cyclocitral (CHEBI:53177) is a monoterpenoid (CHEBI:25409)
Incoming Relation(s)
hydroxy-β-cyclocitral (CHEBI:53167) has functional parent β-cyclocitral (CHEBI:53177)
picrocrocin (CHEBI:53168) has functional parent β-cyclocitral (CHEBI:53177)
safranal (CHEBI:53169) has functional parent β-cyclocitral (CHEBI:53177)
IUPAC Name 
2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde
Synonym  Source
2,6,6-trimethyl-1-cyclohexene-1-carboxaldehydeChemIDplus
Manual XrefsDatabases
HMDB0041011HMDB
Registry NumbersSources
Reaxys:2042086Reaxys
CAS:432-25-7ChemIDplus
Citations