CHEBI:2767 - Aphylline

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ChEBI Name Aphylline
ChEBI ID CHEBI:2767
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H24N2O
Net Charge 0
Average Mass 248.364
Monoisotopic Mass 248.18886
InChI InChI=1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2/t11?,12?,13-,14+/m1/s1
InChIKey YQMWQSMYVPLYDI-PQAZSJQKSA-N
SMILES O=C1[C@@H]2C[C@H](CN3CCCC[C@@H]23)[C@H]2CCCCN12
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 Aphylline (CHEBI:2767) is a quinolizidine alkaloid (CHEBI:26515)
Synonym Source
Aphylline KEGG COMPOUND
Manual Xrefs Databases
C00002209 KNApSAcK
C10752 KEGG COMPOUND
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Registry Number Type Source
577-37-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014