CHEBI:69770 - brachystemidine C

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ChEBI Name brachystemidine C
ChEBI ID CHEBI:69770
Definition A natural product found in Brachystemma calycinum.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H18N2O6
Net Charge 0
Average Mass 322.31320
Monoisotopic Mass 322.11649
InChI InChI=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
InChIKey XXNXFWDNPYKFDJ-ORHYLEIMSA-N
SMILES COC1CC(O)C(=O)N1[C@@H]1OCC=C1COC(=O)c1ccc[nH]1
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 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-carboxylate 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:pyrroles(CHEBI:26455); ISA:N-alkylpyrrolidine(CHEBI:46775); ISA:carboxamide(CHEBI:37622); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:dihydrofuran(CHEBI:51659); ISA:tertiary amine(CHEBI:32876); ISA:carboxylic ester(CHEBI:33308); ISA:lactam(CHEBI:24995); ISA:secondary alcohol(CHEBI:35681); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);