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CHEBI:199503 - Pityriacitrin B

ChEBI IDCHEBI:199503
ChEBI NamePityriacitrin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H13N3O3
Net Charge0
Average Mass355.353
Monoisotopic Mass355.09569
SMILESO=C(O)c1cc2c(nc3ccccc32)c(C(=O)c2cnc3ccccc23)n1
InChIInChI=1S/C21H13N3O3/c25-20(14-10-22-15-7-3-1-6-12(14)15)19-18-13(9-17(24-19)21(26)27)11-5-2-4-8-16(11)23-18/h1-10,22-23H,(H,26,27)
InChIKeyXAJFCGSSMHQTIO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malassezia furfur (ncbitaxon:55194) - DOI (10.1002/hlca.200590118)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Pityriacitrin B (CHEBI:199503) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
Manual XrefsDatabases
28282792ChemSpider