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CHEBI:3157 - boschniakine

Default Structure
ChEBI IDCHEBI:3157
ChEBI Nameboschniakine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC10H11NO
Net Charge0
Average Mass161.204
Monoisotopic Mass161.08406
SMILESC[C@@H]1CCc2c(C=O)cncc21
InChIInChI=1S/C10H11NO/c1-7-2-3-9-8(6-12)4-11-5-10(7)9/h4-7H,2-3H2,1H3/t7-/m1/s1
InChIKeyOPRAONAUWNNOOV-SSDOTTSWSA-N
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)
boschniakine (CHEBI:3157) is a monoterpene alkaloid (CHEBI:50522)
IUPAC Name 
(7R)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbaldehyde
Synonyms  Source
BoschniakineKEGG COMPOUND
(R)-6,7-dihydro-7-methyl-5H-2-pyrindine-4-carboxaldehydeChemIDplus
(R)-6,7-dihydro-7-methyl-5H-2-pyrindinecarboxaldehydeChemIDplus
Manual XrefsDatabases
C00001964KNApSAcK
C09915KEGG COMPOUND
Registry NumbersSources
Beilstein:3934Beilstein
CAS:18070-40-1KEGG COMPOUND
CAS:18070-40-1ChemIDplus