CHEBI:210717 - 19-O-desmethylchaetogline A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 19-O-desmethylchaetogline A
ChEBI ID CHEBI:210717
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H16N2O5
Net Charge 0
Average Mass 352.346
Monoisotopic Mass 352.10592
InChI InChI=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
InChIKey KLVGCFQPUWRQKN-GDXASINISA-N
SMILES O=C/1N2C(C=3N(C=4C=CC=CC4C3C[C@H]2C(=O)O)C)=C\C1=C(/C(=O)O)\C
Metabolite of Species Details
Chaetomium globosum (NCBI:txid38033) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
77429691 ChemSpider
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