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CHEBI:204037 - Brunnein B

ChEBI IDCHEBI:204037
ChEBI NameBrunnein B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14N2O3
Net Charge0
Average Mass246.266
Monoisotopic Mass246.10044
SMILESC[C@H]1N[C@H](C(=O)O)Cc2c1nc1cc(O)ccc21
InChIInChI=1S/C13H14N2O3/c1-6-12-9(5-11(14-6)13(17)18)8-3-2-7(16)4-10(8)15-12/h2-4,6,11,14-16H,5H2,1H3,(H,17,18)/t6-,11+/m1/s1
InChIKeyZROUMPAYNHAKNV-KBUNVGBDSA-N
Species of MetaboliteComponentSourceComments
Cortinarius brunneus (ncbitaxon:86082) - PubMed (17854153)
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)
Brunnein B (CHEBI:204037) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
(1R,3S)-7-hydroxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Manual XrefsDatabases
78437087ChemSpider