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CHEBI:3458 - Cassyfiline

ChEBI IDCHEBI:3458
ChEBI NameCassyfiline
Stars
Last Modified4 January 2017
DownloadsMolfile
FormulaC19H19NO5
Net Charge0
Average Mass341.363
Monoisotopic Mass341.12632
SMILES[H][C@]12Cc3cc(O)c(OC)cc3-c3c4c(c(OC)c(c31)CCN2)OCO4
InChIInChI=1S/C19H19NO5/c1-22-14-7-11-9(6-13(14)21)5-12-15-10(3-4-20-12)17(23-2)19-18(16(11)15)24-8-25-19/h6-7,12,20-21H,3-5,8H2,1-2H3/t12-/m0/s1
InChIKeyFZXIOJQNDYKPCE-LBPRGKRZSA-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)
Cassyfiline (CHEBI:3458) is a aporphine alkaloid (CHEBI:134209)
Synonym  Source
CassyfilineKEGG COMPOUND
Manual XrefsDatabases
C09380KEGG COMPOUND
C00001833KNApSAcK
Registry NumbersSources
CAS:4030-51-7KEGG COMPOUND