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CHEBI:227131 - Brunnein C

ChEBI IDCHEBI:227131
ChEBI NameBrunnein C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12N2O3
Net Charge0
Average Mass232.239
Monoisotopic Mass232.08479
SMILESO=C(O)[C@@H]1Cc2c(nc3cc(O)ccc23)CN1
InChIInChI=1S/C12H12N2O3/c15-6-1-2-7-8-4-10(12(16)17)13-5-11(8)14-9(7)3-6/h1-3,10,13-15H,4-5H2,(H,16,17)/t10-/m0/s1
InChIKeyPYKJRLLVCLLWPW-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Cortinarius brunneus (ncbitaxon:86082) - PubMed (17854153)
ChEBI Ontology
Outgoing Relation(s)
Brunnein C (CHEBI:227131) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(3S)-7-hydroxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Manual XrefsDatabases
78437824ChemSpider