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CHEBI:5685 - Heterocodeine

Default Structure
ChEBI IDCHEBI:5685
ChEBI NameHeterocodeine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H21NO3
Net Charge0
Average Mass299.370
Monoisotopic Mass299.15214
SMILES[H][C@@]12C=C[C@H](OC)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIInChI=1S/C18H21NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17,20H,7-9H2,1-2H3/t11-,12+,14-,17-,18-/m0/s1
InChIKeyFNAHUZTWOVOCTL-XSSYPUMDSA-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)
Heterocodeine (CHEBI:5685) is a morphinane alkaloid (CHEBI:25418)
Synonym  Source
HeterocodeineKEGG COMPOUND
Manual XrefsDatabases
C11779KEGG COMPOUND
Registry NumbersSources
CAS:639-47-4KEGG COMPOUND