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CHEBI:4628 - Dioscorine

ChEBI IDCHEBI:4628
ChEBI NameDioscorine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC13H19NO2
Net Charge0
Average Mass221.300
Monoisotopic Mass221.14158
SMILESCC1=CC(=O)O[C@@]2(C1)C[C@H]1CC[C@@H]2CN1C
InChIInChI=1S/C13H19NO2/c1-9-5-12(15)16-13(6-9)7-11-4-3-10(13)8-14(11)2/h5,10-11H,3-4,6-8H2,1-2H3/t10-,11-,13+/m1/s1
InChIKeyYBQKKTNDAXVYGX-WZRBSPASSA-N
ChEBI Ontology
Outgoing Relation(s)
Dioscorine (CHEBI:4628) is a azaspiro compound (CHEBI:35624)
Synonym  Source
DioscorineKEGG COMPOUND
Manual XrefsDatabases
C10142KEGG COMPOUND
C00002036KNApSAcK
Registry NumbersSources
CAS:3329-91-7KEGG COMPOUND