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CHEBI:70223 - dichotomine E

Default Structure
ChEBI IDCHEBI:70223
ChEBI Namedichotomine E
Stars
DefinitionA natural product found in Stellaria dichotoma var. lanceolata.
Last Modified16 October 2014
DownloadsMolfile
FormulaC12H8N2O3
Net Charge0
Average Mass228.207
Monoisotopic Mass228.05349
SMILESO=C(O)c1cc2c(nc3ccccc32)c(O)n1
InChIInChI=1S/C12H8N2O3/c15-11-10-7(5-9(14-11)12(16)17)6-3-1-2-4-8(6)13-10/h1-5,13H,(H,14,15)(H,16,17)
InChIKeyBQURACGVTWIJNT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Stellaria dichotoma var. lanceolata (IPNI:50920984-1) root (BTO:0001188) PubMed (21090796) Methanolic extract of air-dried, powdered roots
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)
dichotomine E (CHEBI:70223) is a phenols (CHEBI:33853)
dichotomine E (CHEBI:70223) is a β-carboline alkaloid (CHEBI:83325)
IUPAC Name 
1-hydroxy-9H-β-carboline-3-carboxylic acid
Citations