tropolone

CHEBI:79966 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

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. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:139588 CHEBI:139588
CHEBI:33823 CHEBI:33823
CHEBI:3992 CHEBI:3992

Chemical structure

Computed structure properties
Molecular formula	C7H6O2
Charge	0
Average mass	122.123 Da
Monoisotopic mass	122.03678 Da
Source	ChEBI
InChIKey	MDYOLVRUBBJPFM-UHFFFAOYSA-N

SMILES

O=c1cccccc1O

InChI

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

Also called

2-hydroxycyclohepta-2,4,6-trien-1-one (EXACT_SYNONYM)— chebi
2-hydroxy-2,4,6-cycloheptatrien-1-one (EXACT_SYNONYM)— chebi
2-hydroxycyclohepta-2,4,6-trienone (EXACT_SYNONYM)— chebi
2-hydroxytropone (EXACT_SYNONYM)— chebi
purpurocatechol (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:533-75-5
kegg.compound:C15474
metacyc.compound:CPD-7024
pdb-ccd:0TR
reaxys:1904978
wikipedia.en:Tropolone

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:24127 CHEBI:24127

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:79966`	tropolone	`antibioticmech:chebi-4d257d1ed9`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.