CHEBI:173215 - Calystegine A7

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ChEBI Name Calystegine A7
ChEBI ID CHEBI:173215
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H13NO3
Net Charge 0
Average Mass 159.185
Monoisotopic Mass 159.08954
InChI InChI=1S/C7H13NO3/c9-5-3-6(10)7(11)2-1-4(5)8-7/h4-6,8-11H,1-3H2/t4-,5+,6+,7-/m1/s1
InChIKey FSMRMYVITPBGGD-JRTVQGFMSA-N
SMILES O[C@]12N[C@](CC1)([C@@H](O)C[C@@H]2O)[H]
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in feces (BTO:0000440). of strain [] 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 )
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ChEBI Ontology
Outgoing Calystegine A7 (CHEBI:173215) is a tropane alkaloid (CHEBI:37332)
IUPAC Name
(1R,2S,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,4-triol
Manual Xref Database
61450729 ChemSpider
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Registry Number Type Source
197565-90-5 CAS Registry Number ChemIDplus