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CHEBI:169415 - N-Methylcalystegine C1

ChEBI IDCHEBI:169415
ChEBI NameN-Methylcalystegine C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H15NO5
Net Charge0
Average Mass205.210
Monoisotopic Mass205.09502
SMILESCN1C2C(O)CC1(O)C(O)C(O)C2O
InChIInChI=1S/C8H15NO5/c1-9-4-3(10)2-8(9,14)7(13)6(12)5(4)11/h3-7,10-14H,2H2,1H3
InChIKeyXTMAEPUCHRMBTC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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 C1 (CHEBI:169415) is a tropane alkaloid (CHEBI:37332)
IUPAC Name 
8-methyl-8-azabicyclo[3.2.1]octane-1,2,3,4,6-pentol
Manual XrefsDatabases
HMDB0036394HMDB
35014138ChemSpider