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CHEBI:220046 - Malabetaezindole B

ChEBI IDCHEBI:220046
ChEBI NameMalabetaezindole B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H17N3O4
Net Charge0
Average Mass375.384
Monoisotopic Mass375.12191
SMILESO=C(O)[C@@H]1Cc2c(nc3ccccc23)[C@@](O)(c2cnc3ccccc23)C(=O)N1
InChIInChI=1S/C21H17N3O4/c25-19(26)17-9-13-11-5-1-4-8-16(11)23-18(13)21(28,20(27)24-17)14-10-22-15-7-3-2-6-12(14)15/h1-8,10,17,22-23,28H,9H2,(H,24,27)(H,25,26)/t17-,21-/m0/s1
InChIKeyGRSYCGMRONDEOH-UWJYYQICSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - DOI (10.1002/hlca.200590118)
ChEBI Ontology
Outgoing Relation(s)
Malabetaezindole B (CHEBI:220046) is a organic heterobicyclic compound (CHEBI:27171)
Malabetaezindole B (CHEBI:220046) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
(2S,5S)-5-hydroxy-5-(1H-indol-3-yl)-4-oxo-1,2,3,6-tetrahydroazepino[4,5-b]indole-2-carboxylic acid
Manual XrefsDatabases
78437644ChemSpider