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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:68094 - kopsinine
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ChEBI Ontology
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ChEBI Name
kopsinine
ChEBI ID
CHEBI:68094
Definition
A natural product found in
Kopsia grandifolia
.
Stars
This entity has been manually annotated by a third party.
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Formula
C21H26N2O2
Net Charge
0
Average Mass
338.44330
Monoisotopic Mass
338.19943
InChI
InChI=1S/C21H26N2O2/c1-
25-
17(24)
15-
13-
19-
7-
4-
11-
23-
12-
10-
20(18(19)
23)
14-
5-
2-
3-
6-
16(14)
22-
21(15,20)
9-
8-
19/h2-
3,5-
6,15,18,22H,4,7-
13H2,1H3/t15-
,18-
,19+,20+,21+/m0/s1
InChIKey
IYLRRIUNGGQRTN-NWRWZVFGSA-N
SMILES
[H][C@]12N3CCC[C@]11CC[C@@]4(Nc5ccccc5[C@]24CC3)[C@@H](C1)C(=O)OC
Metabolite of Species
Details
Kopsia grandifolia
(IPNI:60436655-2)
Found in stem
(BTO:0001300)
. Previous component: stem bark; stembark extract 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.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
kopsinine (
CHEBI:68094
)
has role
metabolite (
CHEBI:25212
)
kopsinine (
CHEBI:68094
)
is a
indole alkaloid (
CHEBI:38958
)
Synonyms
Sources
2,21-cycloaspidospermidine-3-carboxylic acid, methyl ester, (3beta,5alpha,12beta,19alpha)-
ChEBI
Aspidofractinine-3-carboxylic acid, methyl ester,(2alpha,3beta,5alpha)-
ChEBI
Registry Number
Type
Source
559-51-3
CAS Registry Number
ChemIDplus
Citation
Type
Source
21428274
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:carbazoles(CHEBI:48513); ISA:azaspiro compound(CHEBI:35624); ISA:organic heterobicyclic compound(CHEBI:27171); ISA:organonitrogen heterocyclic compound(CHEBI:38101); ISA:indolizines(CHEBI:38485); ISA:indoles(CHEBI:24828); ISA:aralkylamine(CHEBI:18000); ISA:piperidines(CHEBI:26151); ISA:N-alkylpyrrolidine(CHEBI:46775); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:carboxylic ester(CHEBI:33308); ISA:tertiary amine(CHEBI:32876); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:secondary amine(CHEBI:32863); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);