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CHEBI:207551 - Pityriarubin A

ChEBI IDCHEBI:207551
ChEBI NamePityriarubin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H22N4O4
Net Charge0
Average Mass526.552
Monoisotopic Mass526.16411
SMILESO=C(O)[C@@H]1Cc2c(nc3ccccc23)C2(N1)C(=O)C(c1cnc3ccccc13)=C(c1cnc3ccccc13)C2=O
InChIInChI=1S/C32H22N4O4/c37-29-26(20-14-33-22-10-4-1-8-17(20)22)27(21-15-34-23-11-5-2-9-18(21)23)30(38)32(29)28-19(13-25(36-32)31(39)40)16-7-3-6-12-24(16)35-28/h1-12,14-15,25,33-36H,13H2,(H,39,40)/t25-/m0/s1
InChIKeyMTYFENJTEZHZIP-VWLOTQADSA-N
Species of MetaboliteComponentSourceComments
Malassezia furfur (ncbitaxon:55194) - PubMed (14983444)
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)
Pityriarubin A (CHEBI:207551) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
(3S)-1',2'-bis(1H-indol-3-yl)-3',5'-dioxospiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclopentene]-3-carboxylic acid
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9378359ChemSpider