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CHEBI:68990 - canadaline

ChEBI IDCHEBI:68990
ChEBI Namecanadaline
Stars
DefinitionA natural product found in Corydalis cava and Hydrastis canadensis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H23NO5
Net Charge0
Average Mass369.417
Monoisotopic Mass369.15762
SMILESCOc1ccc(C[C@@H]2c3cc4c(cc3CCN2C)OCO4)c(C=O)c1OC
InChIInChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(22)8-13-4-5-18(24-2)21(25-3)16(13)11-23/h4-5,9-11,17H,6-8,12H2,1-3H3/t17-/m1/s1
InChIKeyROAHDZJDHGLGBA-QGZVFWFLSA-N
Species of MetaboliteComponentSourceComments
Hydrastis canadensis (ncbitaxon:13569) - PubMed (22029392)
Corydalis cava (IPNI:672129-1) - PubMed (22029392)
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)
canadaline (CHEBI:68990) has role metabolite (CHEBI:25212)
canadaline (CHEBI:68990) is a isoquinolines (CHEBI:24922)
Synonyms  Source
2,3-dimethoxy-6-[[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]benzaldehydeChEBI
(-)-canadaline(R)ChEBI
Citations