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CHEBI:173685 - Calystegine A6

ChEBI IDCHEBI:173685
ChEBI NameCalystegine A6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H13NO3
Net Charge0
Average Mass159.185
Monoisotopic Mass159.08954
SMILES[H][C@]12CC[C@@H](O)[C@](O)(N1)[C@H](O)C2
InChIInChI=1S/C7H13NO3/c9-5-2-1-4-3-6(10)7(5,11)8-4/h4-6,8-11H,1-3H2/t4-,5-,6-,7-/m1/s1
InChIKeyYOBNKFROEGVQPW-DBRKOABJSA-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)
Calystegine A6 (CHEBI:173685) is a tropane alkaloid (CHEBI:37332)
IUPAC Name 
(1R,2R,5R,7R)-8-azabicyclo[3.2.1]octane-1,2,7-triol
Manual XrefsDatabases
82951791ChemSpider
Registry NumbersSources
CAS:177794-04-6ChemIDplus