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CHEBI:69772 - brachystemidine B

ChEBI IDCHEBI:69772
ChEBI Namebrachystemidine B
Stars
DefinitionA natural product found in Brachystemma calycinum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC15H18N2O5
Net Charge0
Average Mass306.318
Monoisotopic Mass306.12157
SMILESCOC1CCC(=O)N1[C@@H]1OCC=C1COC(=O)c1cccn1
InChIInChI=1S/C15H18N2O5/c1-20-13-5-4-12(18)17(13)14-10(6-8-21-14)9-22-15(19)11-3-2-7-16-11/h2-3,6-7,13-14,16H,4-5,8-9H2,1H3/t13?,14-/m1/s1
InChIKeyIDTBQXSKCCAGNA-ARLHGKGLSA-N
Species of MetaboliteComponentSourceComments
Brachystemma calycinum (IPNI:151926-1) aerial part (BTO:0001658) PubMed (21634415) 95% aqueous ethanolic extract of sun-dreid and powdered aerial parts
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)
brachystemidine B (CHEBI:69772) has role metabolite (CHEBI:25212)
brachystemidine B (CHEBI:69772) is a pyrroles (CHEBI:26455)
Synonym  Source
[(2R)-2-(2-methoxy-5-oxopyrrolidin-1-yl)-2,5-dihydrofuran-3-yl]methyl1H-pyrrole-2-carboxylateChEBI
Citations