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CHEBI:173215 - Calystegine A7

ChEBI IDCHEBI:173215
ChEBI NameCalystegine A7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H13NO3
Net Charge0
Average Mass159.185
Monoisotopic Mass159.08954
SMILES[H][C@]12CC[C@](O)(N1)[C@@H](O)C[C@@H]2O
InChIInChI=1S/C7H13NO3/c9-5-3-6(10)7(11)2-1-4(5)8-7/h4-6,8-11H,1-3H2/t4-,5+,6+,7-/m1/s1
InChIKeyFSMRMYVITPBGGD-JRTVQGFMSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
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 A7 (CHEBI:173215) is a tropane alkaloid (CHEBI:37332)
IUPAC Name 
(1R,2S,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,4-triol
Manual XrefsDatabases
61450729ChemSpider
Registry NumbersSources
CAS:197565-90-5ChemIDplus