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CHEBI:178213 - N-Methylcalystegine B2

ChEBI IDCHEBI:178213
ChEBI NameN-Methylcalystegine B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H15NO4
Net Charge0
Average Mass189.211
Monoisotopic Mass189.10011
SMILES[H][C@@]12CC[C@@](O)([C@@H](O)[C@H](O)[C@H]1O)N2C
InChIInChI=1S/C8H15NO4/c1-9-4-2-3-8(9,13)7(12)6(11)5(4)10/h4-7,10-13H,2-3H2,1H3/t4-,5+,6-,7+,8-/m1/s1
InChIKeyGZDWTPRPLBRISA-RZUNNTJFSA-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)
N-Methylcalystegine B2 (CHEBI:178213) is a tropane alkaloid (CHEBI:37332)
IUPAC Name 
(1R,2S,3R,4S,5R)-8-methyl-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
Manual XrefsDatabases
8687250ChemSpider