EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:53089 - 4-bromo-1-hydroxyanthraquinone-2-carboxylic acid

ChEBI IDCHEBI:53089
ChEBI Name4-bromo-1-hydroxyanthraquinone-2-carboxylic acid
Stars
DefinitionA 1-hydroxyanthraquinone compound having a carboxy substituent at the 2-position and a bromo substituent at the 4-position.
Last Modified14 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC15H7BrO5
Net Charge0
Average Mass347.120
Monoisotopic Mass345.94769
SMILESO=C(O)c1cc(Br)c2c(c1O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H7BrO5/c16-9-5-8(15(20)21)14(19)11-10(9)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,19H,(H,20,21)
InChIKeyGRIYMOFQRPRQDQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-bromo-1-hydroxyanthraquinone-2-carboxylic acid (CHEBI:53089) is a monocarboxylic acid (CHEBI:25384)
4-bromo-1-hydroxyanthraquinone-2-carboxylic acid (CHEBI:53089) is a monohydroxyanthraquinone (CHEBI:37483)
4-bromo-1-hydroxyanthraquinone-2-carboxylic acid (CHEBI:53089) is a organobromine compound (CHEBI:37141)
IUPAC Name 
4-bromo-1-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
Synonyms  Source
Az-BChEBI
4-bromanyl-1-oxidanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acidChEBI
Citations