dehydroacetic acid

CHEBI:137426 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A pyran-2,4-dione substituted at position 3 by an acetyl group and at position 6 by a methyl group. A fungicide and bactericide it is used primarily in processed fruit and vegetables. — 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:137428 CHEBI:137428
CHEBI:17087 CHEBI:17087

Chemical structure

Computed structure properties
Molecular formula	C8H8O4
Charge	0
Average mass	168.148 Da
Monoisotopic mass	168.04226 Da
Source	ChEBI
InChIKey	PGRHXDWITVMQBC-UHFFFAOYSA-N

SMILES

CC(=O)C1C(=O)C=C(C)OC1=O

InChI

InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3

Also called

3-acetyl-6-methyl-2H-pyran-2,4(3H)-dione (EXACT_SYNONYM)— chebi
Biocide 470F (EXACT_SYNONYM)— chebi
Methylacetopyronone (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:520-45-6
patent:AU2004287448
patent:US3849579
wikipedia.en:Dehydroacetic_acid

Activity roles

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

CHEBI:24127 CHEBI:24127
CHEBI:33282 CHEBI:33282

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:137426`	dehydroacetic acid	`antibioticmech:chebi-d01553785a`	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.