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CHEBI:3366 - Capaurine

ChEBI IDCHEBI:3366
ChEBI NameCapaurine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H25NO5
Net Charge0
Average Mass371.433
Monoisotopic Mass371.17327
SMILES[H][C@@]12Cc3ccc(OC)c(OC)c3CN1CCc1cc(OC)c(OC)c(O)c12
InChIInChI=1S/C21H25NO5/c1-24-16-6-5-12-9-15-18-13(10-17(25-2)21(27-4)19(18)23)7-8-22(15)11-14(12)20(16)26-3/h5-6,10,15,23H,7-9,11H2,1-4H3/t15-/m0/s1
InChIKeyGSPIMPLJQOCBFY-HNNXBMFYSA-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)
Capaurine (CHEBI:3366) is a alkaloid (CHEBI:22315)
Synonym  Source
CapaurineKEGG COMPOUND
Manual XrefsDatabases
C00001829KNApSAcK
C09371KEGG COMPOUND
Registry NumbersSources
CAS:478-14-8KEGG COMPOUND