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> Main
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.
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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
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);