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CHEBI:69770 - brachystemidine C

ChEBI IDCHEBI:69770
ChEBI Namebrachystemidine C
Stars
DefinitionA natural product found in Brachystemma calycinum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC15H18N2O6
Net Charge0
Average Mass322.317
Monoisotopic Mass322.11649
SMILESCOC1CC(O)C(=O)N1[C@@H]1OCC=C1COC(=O)c1cccn1
InChIInChI=1S/C15H18N2O6/c1-21-12-7-11(18)13(19)17(12)14-9(4-6-22-14)8-23-15(20)10-3-2-5-16-10/h2-5,11-12,14,16,18H,6-8H2,1H3/t11?,12?,14-/m1/s1
InChIKeyXXNXFWDNPYKFDJ-ORHYLEIMSA-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 C (CHEBI:69770) has role metabolite (CHEBI:25212)
brachystemidine C (CHEBI:69770) is a pyrroles (CHEBI:26455)
Synonym  Source
[(2R)-2-(3-hydroxy-5-methoxy-2-oxopyrrolidin-1-yl)-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylateChEBI
Citations