CHEBI:81079 - Dicentrine

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ChEBI Name Dicentrine
ChEBI ID CHEBI:81079
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H21NO4
Net Charge 0
Average Mass 339.38500
Monoisotopic Mass 339.14706
InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
InChIKey YJWBWQWUHVXPNC-AWEZNQCLSA-N
SMILES COc1cc2C[C@@H]3N(C)CCc4cc5OCOc5c(-c2cc1OC)c34
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 Dicentrine (CHEBI:81079) is a aporphine alkaloid (CHEBI:134209)
Manual Xref Database
C17426 KEGG COMPOUND
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Registry Number Type Source
517-66-8 CAS Registry Number KEGG COMPOUND
Last Modified
04 January 2017