CHEBI:79966 - tropolone

ChEBI IDCHEBI:79966
ChEBI Nametropolone
Stars
DefinitionA cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii.
Last Modified20 August 2020
DownloadsMolfile
FormulaC7H6O2
Net Charge0
Average Mass122.123
Monoisotopic Mass122.03678
SMILESO=c1cccccc1O
InChIInChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
InChIKeyMDYOLVRUBBJPFM-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Burkholderia plantarii (ncbitaxon:41899) - PubMed (27002128)
Roles Classification
Biological Roles:
fungicide  A substance used to destroy fungal pests.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
toxin  Poisonous substance produced by a biological organism such as a microbe, animal or plant.
Application:
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
tropolone (CHEBI:79966) has parent hydride cyclohepta-1,3,5-triene (CHEBI:37519)
tropolone (CHEBI:79966) has role bacterial metabolite (CHEBI:76969)
tropolone (CHEBI:79966) has role fungicide (CHEBI:24127)
tropolone (CHEBI:79966) has role toxin (CHEBI:27026)
tropolone (CHEBI:79966) is a cyclic ketone (CHEBI:3992)
tropolone (CHEBI:79966) is a enol (CHEBI:33823)
tropolone (CHEBI:79966) is a α-hydroxy ketone (CHEBI:139588)
Incoming Relation(s)
3,7-dihydroxytropolone (CHEBI:156362) has functional parent tropolone (CHEBI:79966)
IUPAC Name 
2-hydroxycyclohepta-2,4,6-trien-1-one
Synonyms  Source
2-hydroxytroponeChemIDplus
purpurocatecholChemIDplus
2-hydroxycyclohepta-2,4,6-trienoneChemIDplus
2-hydroxy-2,4,6-cycloheptatrien-1-oneNIST Chemistry WebBook
Manual XrefsDatabases
C15474KEGG COMPOUND
CPD-7024MetaCyc
TropoloneWikipedia
0TRPDBeChem
Registry NumbersSources
Reaxys:1904978Reaxys
CAS:533-75-5ChemIDplus
CAS:533-75-5NIST Chemistry WebBook
Citations