EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210691 - Chaetoindolone A

ChEBI IDCHEBI:210691
ChEBI NameChaetoindolone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H19N3O3
Net Charge0
Average Mass385.423
Monoisotopic Mass385.14264
SMILESCn1cc([C@@H]2C(=O)NC(C(=O)O)=Cc3c2n(C)c2ccccc32)c2ccccc21
InChIInChI=1S/C23H19N3O3/c1-25-12-16(14-8-3-5-9-18(14)25)20-21-15(11-17(23(28)29)24-22(20)27)13-7-4-6-10-19(13)26(21)2/h3-12,20H,1-2H3,(H,24,27)(H,28,29)/t20-/m0/s1
InChIKeyLCQCFKXTGUJVPG-FQEVSTJZSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (31329433)
ChEBI Ontology
Outgoing Relation(s)
Chaetoindolone A (CHEBI:210691) has functional parent α-amino acid (CHEBI:33704)
Chaetoindolone A (CHEBI:210691) is a organonitrogen compound (CHEBI:35352)
Chaetoindolone A (CHEBI:210691) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(5S)-6-methyl-5-(1-methylindol-3-yl)-4-oxo-3,5-dihydroazepino[4,5-b]indole-2-carboxylic acid
Manual XrefsDatabases
77429687ChemSpider