CHEBI:30746 - benzoic acid

ChEBI IDCHEBI:30746
ChEBI Namebenzoic acid
Stars
DefinitionA compound comprising a benzene ring core carrying a carboxylic acid substituent.
Secondary ChEBI IDsCHEBI:3029, CHEBI:22722, CHEBI:41051
Last Modified13 November 2020
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC7H6O2
Net Charge0
Average Mass122.123
Monoisotopic Mass122.03678
SMILESO=C(O)c1ccccc1
InChIInChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChIKeyWPYMKLBDIGXBTP-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Rhododendron ferrugineum (ncbitaxon:49622) leaf (BTO:0000713) PubMed (21443171) MeOH extract of CHCl3 soluble fraction of air-dried,powdered leaves,p-anisic & benzoic acid mixture
Paeonia rockii subsp. rockii (ncbitaxon:459179) root (BTO:0001188) PubMed (21954959) Isolated from chloroform soluble extract of air-dried and powdered roots
Piper sarmentosum (ncbitaxon:405319)
leaf (BTO:0000713) PubMed (21973101) Chloroform soluble extract of aerial parts(leaves, twigs, stems, inflorescence)
stem (BTO:0001300) PubMed (21973101) Chloroform soluble extract of aerial parts(leaves, twigs, stems, inflorescence)
inflorescence (BTO:0000628) PubMed (21973101) Chloroform soluble extract of aerial parts(leaves, twigs, stems, inflorescence)
twig (BTO:0001411) PubMed (21973101) Chloroform soluble extract of aerial parts(leaves, twigs, stems, inflorescence)
Stachylidium (ncbitaxon:796327) - PubMed (21162532) Marine derived fungus isolated from sponge Callyspongia sp. cf. C. flammea Strain: 220
Chlamydomonas reinhardtii (ncbitaxon:3055) - PubMed (25515814)
Roles Classification

ChEBI Ontology
IUPAC Name 
benzoic acid
Synonyms  Source
Benzoic acidKEGG COMPOUND
Benzenecarboxylic acidKEGG COMPOUND
Phenylformic acidKEGG COMPOUND
Dracylic acidKEGG COMPOUND
BENZOIC ACIDPDBeChem
Benzoesäure  deChEBI
Manual XrefsDatabases
C00180KEGG COMPOUND
BEZPDBeChem
Benzoic_AcidWikipedia
BENZOATEMetaCyc
D00038KEGG DRUG
DB03793DrugBank
HMDB0001870HMDB
C00000207KNApSAcK
C00539KEGG COMPOUND
YMDB02301YMDB
LSM-37118LINCS
4664DrugCentral
1475PPDB
Registry NumbersSources
Gmelin:2946Gmelin
Reaxys:636131Reaxys
CAS:65-85-0KEGG COMPOUND
CAS:65-85-0ChemIDplus
CAS:65-85-0NIST Chemistry WebBook
Citations