benzoic acid

CHEBI:30746 ·resolve ·BIOCIDE ·EXACT SEEDED

A compound comprising a benzene ring core carrying a carboxylic acid substituent. — 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:22723 CHEBI:22723

Chemical structure

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

SMILES

O=C(O)c1ccccc1

InChI

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

Also called

Aromatic carboxylic acid (EXACT_SYNONYM)— chebi
BENZOIC ACID (EXACT_SYNONYM)— chebi
Benzenecarboxylic acid (EXACT_SYNONYM)— chebi
Benzeneformic acid (EXACT_SYNONYM)— chebi
Benzenemethanoic acid (EXACT_SYNONYM)— chebi
Benzoesäure (EXACT_SYNONYM)— chebi
Benzoic acid (EXACT_SYNONYM)— chebi
Dracylic acid (EXACT_SYNONYM)— chebi
E210 (EXACT_SYNONYM)— chebi
Phenylcarboxylic acid (EXACT_SYNONYM)— chebi
Phenylformic acid (EXACT_SYNONYM)— chebi
acide benzoïque (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:65-85-0
drugbank:DB03793
drugcentral:4664
gmelin:2946
hmdb:HMDB0001870
kegg.compound:C00180
kegg.compound:C00539
kegg.drug:D00038
knapsack:C00000207
lincs.smallmolecule:LSM-37118
metacyc.compound:BENZOATE
pdb-ccd:BEZ
ppdb:1475
reaxys:636131
wikipedia.en:Benzoic_Acid
ymdb:YMDB02301

Activity roles

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

CHEBI:65256 CHEBI:65256

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:30746`	benzoic acid	`antibioticmech:chebi-2ee1b2ea08`	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.