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CHEBI:210717 - 19-O-desmethylchaetogline A

ChEBI IDCHEBI:210717
ChEBI Name19-O-desmethylchaetogline A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16N2O5
Net Charge0
Average Mass352.346
Monoisotopic Mass352.10592
SMILESC/C(C(=O)O)=C1/C=C2c3c(c4ccccc4n3C)C[C@@H](C(=O)O)N2C1=O
InChIInChI=1S/C19H16N2O5/c1-9(18(23)24)11-7-14-16-12(8-15(19(25)26)21(14)17(11)22)10-5-3-4-6-13(10)20(16)2/h3-7,15H,8H2,1-2H3,(H,23,24)(H,25,26)/b11-9+/t15-/m0/s1
InChIKeyKLVGCFQPUWRQKN-GDXASINISA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (31329433)
ChEBI Ontology
Outgoing Relation(s)
19-O-desmethylchaetogline A (CHEBI:210717) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(2E,5S)-2-(1-carboxyethylidene)-11-methyl-3-oxo-5,6-dihydroindolizino[8,7-b]indole-5-carboxylic acid
Manual XrefsDatabases
77429691ChemSpider