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CHEBI:6112 - Karakin

ChEBI IDCHEBI:6112
ChEBI NameKarakin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H21N3O15
Net Charge0
Average Mass483.339
Monoisotopic Mass483.09727
SMILESO=C(CC[N+](=O)[O-])OC[C@H]1O[C@@H](OC(=O)CC[N+](=O)[O-])[C@H](OC(=O)CC[N+](=O)[O-])[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H21N3O15/c19-9(1-4-16(24)25)30-7-8-12(22)13(23)14(32-10(20)2-5-17(26)27)15(31-8)33-11(21)3-6-18(28)29/h8,12-15,22-23H,1-7H2/t8-,12-,13+,14-,15+/m1/s1
InChIKeyCNURKUNYCXCBEK-WMNSZERYSA-N
ChEBI Ontology
Outgoing Relation(s)
Karakin (CHEBI:6112) is a glycoside (CHEBI:24400)
Synonyms  Source
KarakinKEGG COMPOUND
beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)KEGG COMPOUND
Manual XrefsDatabases
C08495KEGG COMPOUND
C00001543KNApSAcK
Registry NumbersSources
CAS:1400-11-9KEGG COMPOUND