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CHEBI:9059 - Scopoline

ChEBI IDCHEBI:9059
ChEBI NameScopoline
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC8H13NO2
Net Charge0
Average Mass155.197
Monoisotopic Mass155.09463
SMILESCN1C2CC3CC1[C@H](O)C2O3
InChIInChI=1S/C8H13NO2/c1-9-5-2-4-3-6(9)8(11-4)7(5)10/h4-8,10H,2-3H2,1H3/t4?,5?,6?,7-,8?/m0/s1
InChIKeyMEGPURSNXMUDAE-IKTQEEBSSA-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)
Scopoline (CHEBI:9059) is a tropane alkaloid (CHEBI:37332)
Synonym  Source
ScopolineKEGG COMPOUND
Manual XrefsDatabases
C10866KEGG COMPOUND
C00002302KNApSAcK
Registry NumbersSources
CAS:487-27-4KEGG COMPOUND