Brunnein C (CHEBI:227131)

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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	Brunnein C

ChEBI ID	CHEBI:227131

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H12N2O3

Net Charge

Average Mass

232.239

Monoisotopic Mass

232.08479

InChI

InChI=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

InChIKey

PYKJRLLVCLLWPW-JTQLQIEISA-N

SMILES

O=C(O)[C@H]1NCC=2NC3=C(C2C1)C=CC(=C3)O

Metabolite of Species	Details
Cortinarius brunneus (NCBI:txid86082)	See: PubMed

ChEBI Ontology
Outgoing	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