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CHEBI:178343 - Calystegine B5

ChEBI IDCHEBI:178343
ChEBI NameCalystegine B5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H13NO4
Net Charge0
Average Mass175.184
Monoisotopic Mass175.08446
SMILES[H][C@]12C[C@H](O)[C@](O)(N1)[C@H](O)C[C@@H]2O
InChIInChI=1S/C7H13NO4/c9-4-2-6(11)7(12)5(10)1-3(4)8-7/h3-6,8-12H,1-2H2/t3-,4+,5+,6-,7-/m1/s1
InChIKeyDJTRTWALNSXKOG-VOQCIKJUSA-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 B5 (CHEBI:178343) is a tropane alkaloid (CHEBI:37332)
IUPAC Name 
(1R,2R,4S,5R,7S)-8-azabicyclo[3.2.1]octane-1,2,4,7-tetrol
Manual XrefsDatabases
57583181ChemSpider
Registry NumbersSources
CAS:197565-91-6ChemIDplus