EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:125598 - 2-[[5-(2-carboxyanilino)-9,10-dioxo-1-anthracenyl]amino]benzoic acid

ChEBI IDCHEBI:125598
ChEBI Name2-[[5-(2-carboxyanilino)-9,10-dioxo-1-anthracenyl]amino]benzoic acid
Stars
DownloadsMolfile
FormulaC28H18N2O6
Net Charge0
Average Mass478.460
Monoisotopic Mass478.11649
SMILESO=C(O)c1ccccc1Nc1cccc2c1C(=O)c1cccc(Nc3ccccc3C(=O)O)c1C2=O
InChIInChI=1S/C28H18N2O6/c31-25-18-10-6-14-22(30-20-12-4-2-8-16(20)28(35)36)24(18)26(32)17-9-5-13-21(23(17)25)29-19-11-3-1-7-15(19)27(33)34/h1-14,29-30H,(H,33,34)(H,35,36)
InChIKeyVBKQODJWSGDGNQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[5-(2-carboxyanilino)-9,10-dioxo-1-anthracenyl]amino]benzoic acid (CHEBI:125598) is a anthraquinone (CHEBI:22580)
Manual XrefsDatabases
LSM-37142LINCS