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. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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).