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CHEBI:167991 - 1-Anilino-9,10-dioxo-2-anthroic acid

ChEBI IDCHEBI:167991
ChEBI Name1-Anilino-9,10-dioxo-2-anthroic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H13NO4
Net Charge0
Average Mass343.338
Monoisotopic Mass343.08446
SMILESO=C(O)c1ccc2c(c1Nc1ccccc1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C21H13NO4/c23-19-13-8-4-5-9-14(13)20(24)17-15(19)10-11-16(21(25)26)18(17)22-12-6-2-1-3-7-12/h1-11,22H,(H,25,26)
InChIKeyGNYBNEOJUARKPW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
1-Anilino-9,10-dioxo-2-anthroic acid (CHEBI:167991) is a anthracenes (CHEBI:46955)
IUPAC Name 
1-anilino-9,10-dioxoanthracene-2-carboxylic acid
Manual XrefsDatabases
192849ChemSpider