N-Methylcalystegine C1 (CHEBI:169415)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	N-Methylcalystegine C1

ChEBI ID	CHEBI:169415

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H15NO5

Net Charge

Average Mass

205.210

Monoisotopic Mass

205.09502

InChI

InChI=1S/C8H15NO5/c1-9-4-3(10)2-8(9,14)7(13)6(12)5(4)11/h3-7,10-14H,2H2,1H3

InChIKey

XTMAEPUCHRMBTC-UHFFFAOYSA-N

SMILES

OC12N(C(C(O)C1)C(O)C(O)C2O)C

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	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