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CHEBI:80886 - Phellodendrine

ChEBI IDCHEBI:80886
ChEBI NamePhellodendrine
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DownloadsMolfile
FormulaC20H24NO4
Net Charge+1
Average Mass342.415
Monoisotopic Mass342.16998
SMILES[H][C@@]12Cc3cc(O)c(OC)cc3C[N@+]1(C)CCc1cc(OC)c(O)cc12
InChIInChI=1S/C20H23NO4/c1-21-5-4-12-8-19(24-2)18(23)10-15(12)16(21)6-13-7-17(22)20(25-3)9-14(13)11-21/h7-10,16H,4-6,11H2,1-3H3,(H-,22,23)/p+1/t16-,21-/m0/s1
InChIKeyRBBVPNQTBKHOEQ-KKSFZXQISA-O
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)
Phellodendrine (CHEBI:80886) is a alkaloid (CHEBI:22315)
Manual XrefsDatabases
C17046KEGG COMPOUND
Registry NumbersSources
CAS:6873-13-8KEGG COMPOUND