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CHEBI:3447 - Caseadine

ChEBI IDCHEBI:3447
ChEBI NameCaseadine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H23NO4
Net Charge0
Average Mass341.407
Monoisotopic Mass341.16271
SMILES[H][C@@]12Cc3cc(OC)c(OC)cc3CN1CCc1ccc(OC)c(O)c12
InChIInChI=1S/C20H23NO4/c1-23-16-5-4-12-6-7-21-11-14-10-18(25-3)17(24-2)9-13(14)8-15(21)19(12)20(16)22/h4-5,9-10,15,22H,6-8,11H2,1-3H3/t15-/m0/s1
InChIKeyHXHKKYNHNQVAAX-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)
Caseadine (CHEBI:3447) is a alkaloid (CHEBI:22315)
Synonym  Source
CaseadineKEGG COMPOUND
Manual XrefsDatabases
C00001832KNApSAcK
C09377KEGG COMPOUND
Registry NumbersSources
CAS:34413-12-2KEGG COMPOUND