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CHEBI:6000 - Isocorydine

Default Structure
ChEBI IDCHEBI:6000
ChEBI NameIsocorydine
Stars
Last Modified4 January 2017
DownloadsMolfile
FormulaC20H23NO4
Net Charge0
Average Mass341.407
Monoisotopic Mass341.16271
SMILES[H][C@]12Cc3ccc(OC)c(O)c3-c3c(OC)c(OC)cc(c31)CCN2C
InChIInChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1
InChIKeyQELDJEKNFOQJOY-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)
Isocorydine (CHEBI:6000) is a aporphine alkaloid (CHEBI:134209)
Synonym  Source
IsocorydineKEGG COMPOUND
Manual XrefsDatabases
C00001872KNApSAcK
C09549KEGG COMPOUND
HMDB0030184HMDB
LSM-20943LINCS
Registry NumbersSources
CAS:475-67-2KEGG COMPOUND