CHEBI:69771 - brachystemidine A

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ChEBI Name brachystemidine A
ChEBI ID CHEBI:69771
Definition A natural product found in Brachystemma calycinum.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H18N2O5
Net Charge 0
Average Mass 306.31380
Monoisotopic Mass 306.12157
InChI InChI=1S/C15H18N2O5/c1-20-13-5-4-12(18)17(13)14-7-10(8-21-14)9-22-15(19)11-3-2-6-16-11/h2-3,6-7,13-14,16H,4-5,8-9H2,1H3/t13?,14-/m0/s1
InChIKey BPMLAWBYBLOCCU-KZUDCZAMSA-N
SMILES COC1CCC(=O)N1[C@H]1OCC(COC(=O)c2ccc[nH]2)=C1
Metabolite of Species Details
Brachystemma calycinum (IPNI:151926-1) Found in aerial part (BTO:0001658). 95% aqueous ethanolic extract of sun-dreid and powdered aerial parts See: PubMed
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing brachystemidine A (CHEBI:69771) has role metabolite (CHEBI:25212)
brachystemidine A (CHEBI:69771) is a pyrroles (CHEBI:26455)
Synonym Source
1H-pyrrole-2-carboxylic acid, [(5S)-2,5-dihydro-5-(2-methoxy-5-oxo-1-pyrrolidinyl)-3-furanyl]methyl ester ChEBI
Citation Waiting for Citations Type Source
21634415 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:pyrrolidine-2-ones(CHEBI:74223); ISA:N-alkylpyrrolidine(CHEBI:46775); ISA:pyrroles(CHEBI:26455); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:dihydrofuran(CHEBI:51659); ISA:carboxamide(CHEBI:37622); ISA:carboxylic ester(CHEBI:33308); ISA:lactam(CHEBI:24995); ISA:tertiary amine(CHEBI:32876); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);