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CHEBI:69593 - marinacarboline B

ChEBI IDCHEBI:69593
ChEBI Namemarinacarboline B
Stars
DefinitionA natural product found in Marinactinospora thermotolerans.
Last Modified20 October 2014
DownloadsMolfile
FormulaC22H19N3O3
Net Charge0
Average Mass373.412
Monoisotopic Mass373.14264
SMILESCC(=O)c1nc(C(=O)NCCc2ccc(O)cc2)cc2c1nc1ccccc12
InChIInChI=1S/C22H19N3O3/c1-13(26)20-21-17(16-4-2-3-5-18(16)24-21)12-19(25-20)22(28)23-11-10-14-6-8-15(27)9-7-14/h2-9,12,24,27H,10-11H2,1H3,(H,23,28)
InChIKeyXHHABJFVNYNXCX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Marinactinospora thermotolerans (ncbitaxon:531310)
mycelium (BTO:0001436) PubMed (21977916) Crude extract of fermented medium inoculated with spores and mycelia Strain: SCSIO 00652
spore (BTO:0001171) PubMed (21977916) Crude extract of fermented medium inoculated with spores and mycelia Strain: SCSIO 00652
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)
marinacarboline B (CHEBI:69593) is a methyl ketone (CHEBI:51867)
marinacarboline B (CHEBI:69593) is a monocarboxylic acid amide (CHEBI:29347)
marinacarboline B (CHEBI:69593) is a phenols (CHEBI:33853)
marinacarboline B (CHEBI:69593) is a β-carboline alkaloid (CHEBI:83325)
IUPAC Name 
1-acetyl-N-[2-(4-hydroxyphenyl)ethyl]-9H-β-carboline-3-carboxamide
Synonym  Source
4'O - desmethyl marinacarboline AChEBI
Citations