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CHEBI:17 - (+)-Cassythicine

Default Structure
ChEBI IDCHEBI:17
ChEBI Name(+)-Cassythicine
Stars
Last Modified4 January 2017
DownloadsMolfile
FormulaC19H19NO4
Net Charge0
Average Mass325.364
Monoisotopic Mass325.13141
SMILES[H][C@]12Cc3cc(O)c(OC)cc3-c3c4c(cc(c31)CCN2C)OCO4
InChIInChI=1S/C19H19NO4/c1-20-4-3-10-7-16-19(24-9-23-16)18-12-8-15(22-2)14(21)6-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1
InChIKeyMPWZJVCAMFAIGV-ZDUSSCGKSA-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)
(+)-Cassythicine (CHEBI:17) is a aporphine alkaloid (CHEBI:134209)
Synonym  Source
(+)-CassythicineKEGG COMPOUND
Manual XrefsDatabases
C00001834KNApSAcK
C09389KEGG COMPOUND
Registry NumbersSources
CAS:5890-28-8KEGG COMPOUND