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miserotoxin

Go to external page http://purl.obolibrary.org/obo/CHEBI_6951

A beta-D-glucoside having 3-nitropropyl as the anomeric alkyl group.

Term info

Label

miserotoxin

Synonyms
  • 3-nitropropyl beta-D-glucopyranoside
  • Miserotoxin
database cross reference
Subsets

3_STAR

IUPAC NAME
3-nitropropyl beta-D-glucopyranoside [ IUPAC ]

charge

0

formula

C9H17NO8

has obo namespace

chebi_ontology

has related synonym

3-nitro-1-propyl-beta-D-glucoside, 3-nitropropyl-beta-D-glucopyranoside

id

CHEBI:6951

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

mass

267.23320

monoisotopicmass

267.09542

smiles

OC[C@H]1O[C@@H](OCCC[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O