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ChEBI
> Main
CHEBI:6951 - miserotoxin
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ChEBI Name
miserotoxin
ChEBI ID
CHEBI:6951
Definition
A β-
D
-glucoside having 3-nitropropyl as the anomeric alkyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C9H17NO8
Net Charge
0
Average Mass
267.23320
Monoisotopic Mass
267.09542
InChI
InChI=1S/C9H17NO8/c11-
4-
5-
6(12)
7(13)
8(14)
9(18-
5)
17-
3-
1-
2-
10(15)
16/h5-
9,11-
14H,1-
4H2/t5-
,6-
,7+,8-
,9-
/m1/s1
InChIKey
JDJSHLXEHWCLEP-SYHAXYEDSA-N
SMILES
OC[C@H]1O[C@@H](OCCC[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O
Roles Classification
Biological Role
(s):
phytotoxin
Any toxin produced by a plant.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
miserotoxin (
CHEBI:6951
)
has functional parent
β-
D
-glucose (
CHEBI:15903
)
miserotoxin (
CHEBI:6951
)
has role
phytotoxin (
CHEBI:38231
)
miserotoxin (
CHEBI:6951
)
is a
β-
D
-glucoside (
CHEBI:22798
)
miserotoxin (
CHEBI:6951
)
is a
C
-nitro compound (
CHEBI:35716
)
IUPAC Name
3-nitropropyl β-
D
-glucopyranoside
Synonyms
Sources
3-nitro-1-propyl-β-
D
-glucoside
ChemIDplus
3-nitropropyl-β-
D
-glucopyranoside
ChemIDplus
Miserotoxin
KEGG COMPOUND
Manual Xrefs
Databases
C00001547
KNApSAcK
C08507
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1348639
Reaxys Registry Number
Reaxys
1348639
Beilstein Registry Number
Beilstein
24502-76-9
CAS Registry Number
KEGG COMPOUND
24502-76-9
CAS Registry Number
ChemIDplus
Citations
Types
Sources
11672738
PubMed citation
Europe PMC
475094
PubMed citation
Europe PMC
5414868
PubMed citation
Europe PMC
6658823
PubMed citation
Europe PMC
IND87090432
Agricola citation
Europe PMC
Last Modified
28 July 2014
General Comment
2011-02-11
A toxin found in many species of
Astragalus
, such as
Astragalus miser
(timber milk-vetch).