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CHEBI:81079 - Dicentrine

Default Structure
ChEBI IDCHEBI:81079
ChEBI NameDicentrine
Stars
Last Modified4 January 2017
DownloadsMolfile
FormulaC20H21NO4
Net Charge0
Average Mass339.391
Monoisotopic Mass339.14706
SMILES[H][C@]12Cc3cc(OC)c(OC)cc3-c3c4c(cc(c31)CCN2C)OCO4
InChIInChI=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
InChIKeyYJWBWQWUHVXPNC-AWEZNQCLSA-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)
Dicentrine (CHEBI:81079) is a aporphine alkaloid (CHEBI:134209)
Manual XrefsDatabases
C17426KEGG COMPOUND
Registry NumbersSources
CAS:517-66-8KEGG COMPOUND