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CHEBI:202849 - Metatacarboline F

ChEBI IDCHEBI:202849
ChEBI NameMetatacarboline F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28N4O6
Net Charge0
Average Mass480.521
Monoisotopic Mass480.20088
SMILESCC(C)[C@H](NC(=O)c1cc2c(nc3ccccc32)c(CCC(=O)N2CCC[C@H]2C(=O)O)n1)C(=O)O
InChIInChI=1S/C25H28N4O6/c1-13(2)21(25(34)35)28-23(31)18-12-15-14-6-3-4-7-16(14)27-22(15)17(26-18)9-10-20(30)29-11-5-8-19(29)24(32)33/h3-4,6-7,12-13,19,21,27H,5,8-11H2,1-2H3,(H,28,31)(H,32,33)(H,34,35)/t19-,21-/m0/s1
InChIKeyVDVKKTJHKSSCRY-FPOVZHCZSA-N
Species of MetaboliteComponentSourceComments
Mycena metata (ncbitaxon:1033252) - PubMed (23330951)
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)
Metatacarboline F (CHEBI:202849) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
(2S)-1-[3-[3-[[(1S)-1-carboxy-2-methylpropyl]carbamoyl]-9H-pyrido[3,4-b]indol-1-yl]propanoyl]pyrrolidine-2-carboxylic acid
Manual XrefsDatabases
58917836ChemSpider