FComEx: 3,5-Dihydroxybenzoic acid (PC001159)

Record Information

Version

1.0

Creation date

2018-05-02 11:47:29 UTC

Update date

2018-05-04 14:26:41 UTC

FoodComEx ID

PC001159

FoodDB Record

FDB000848

Chemical Information

Name

3,5-Dihydroxybenzoic acid

Description

Constituent of Arachis hypogaea (peanuts) and Cicer arietinum (chickpea). 3,5-Dihydroxybenzoic acid is found in many foods, some of which are peanut, pulses, nuts, and beer.

CAS Number

99-10-5

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
α-Resorcylic acid	biospider
3,5-Dihydroxy-benzoic acid	biospider
3,5-Dihydroxybenzoate	biospider
3,5-Dihydroxybenzoic acid	biospider
3,5-Dihydroxybenzoic acid (acd/name 4.0)	HMDB
5-Carboxyresorcinol	biospider
a-Resorcylate	Generator
a-Resorcylic acid	Generator
a-Resorcylic acid, 8CI	db_source
alpha-Resorcylate	Generator
alpha-Resorcylic acid	biospider
Benzoate	HMDB
Benzoic acid	HMDB
Resorcinol-5-carboxylic acid	db_source
α-resorcylate	Generator
α-resorcylic acid	Generator

Chemical Formula

C7H6O4

IUPAC name

3,5-dihydroxybenzoic acid

InChI Identifier

InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)

InChI Key

UYEMGAFJOZZIFP-UHFFFAOYSA-N

Isomeric SMILES

OC(=O)C1=CC(O)=CC(O)=C1

Average Molecular Weight

154.121

Monoisotopic Molecular Weight

154.026608673

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Hydroxybenzoic acid derivatives

Alternative Parents