CHEBI:80886 - Phellodendrine

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ChEBI Name Phellodendrine
ChEBI ID CHEBI:80886
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H24NO4
Net Charge +1
Average Mass 342.40890
Monoisotopic Mass 342.171
InChI InChI=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
InChIKey RBBVPNQTBKHOEQ-KKSFZXQISA-O
SMILES COc1cc2C[N@+]3(C)CCc4cc(OC)c(O)cc4[C@@H]3Cc2cc1O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing Phellodendrine (CHEBI:80886) is a alkaloid (CHEBI:22315)
Manual Xref Database
C17046 KEGG COMPOUND
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Registry Number Type Source
6873-13-8 CAS Registry Number KEGG COMPOUND