tropolone (CHEBI:79966)

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ChEBI Name	tropolone

ChEBI ID	CHEBI:79966

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C7H6O2

Net Charge

Average Mass

122.123

Monoisotopic Mass

122.03678

InChI

InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)

InChIKey

MDYOLVRUBBJPFM-UHFFFAOYSA-N

SMILES

OC1=CC=CC=CC1=O

Metabolite of Species	Details
Burkholderia plantarii (NCBI:txid41899)	See: PubMed

Roles Classification
Biological Role(s):	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. fungicide A substance used to destroy fungal pests.

Application(s):	fungicide A substance used to destroy fungal pests.

ChEBI Ontology
Outgoing	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 α-hydroxy ketone (CHEBI:139588) tropolone (CHEBI:79966) is a cyclic ketone (CHEBI:3992) tropolone (CHEBI:79966) is a enol (CHEBI:33823)

Incoming	3,7-dihydroxytropolone (CHEBI:156362) has functional parent tropolone (CHEBI:79966)

IUPAC Name

2-hydroxycyclohepta-2,4,6-trien-1-one

Synonyms	Sources
2-hydroxy-2,4,6-cycloheptatrien-1-one	NIST Chemistry WebBook
2-hydroxycyclohepta-2,4,6-trienone	ChemIDplus
2-hydroxytropone	ChemIDplus
purpurocatechol	ChemIDplus

Last Modified

20 August 2020