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CHEBI:229074 - Calistegin B2

ChEBI IDCHEBI:229074
ChEBI NameCalistegin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H13NO4
Net Charge0
Average Mass175.184
Monoisotopic Mass175.08446
SMILESO[C@@H]1[C@@H](O)[C@]2(O)CCC(N2)[C@@H]1O
InChIInChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3?,4-,5-,6+,7+/m0/s1
InChIKeyFXFBVZOJVHCEDO-NGMGSTNOSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
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)
Calistegin B2 (CHEBI:229074) is a tropane alkaloid (CHEBI:37332)
IUPAC Name 
(1R,2R,3S,4S)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol