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CHEBI:3692 - Cibarian

ChEBI IDCHEBI:3692
ChEBI NameCibarian
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC12H18N2O12
Net Charge0
Average Mass382.278
Monoisotopic Mass382.08597
SMILESO=C(CC[N+](=O)[O-])OC[C@H]1O[C@@H](OC(=O)CC[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H18N2O12/c15-7(1-3-13(20)21)24-5-6-9(17)10(18)11(19)12(25-6)26-8(16)2-4-14(22)23/h6,9-12,17-19H,1-5H2/t6-,9-,10+,11-,12+/m1/s1
InChIKeyPUSAAHYGRLPDMQ-JPXBYFMYSA-N
ChEBI Ontology
Outgoing Relation(s)
Cibarian (CHEBI:3692) is a glycoside (CHEBI:24400)
Synonyms  Source
CibarianKEGG COMPOUND
beta-D-Glucopyranose, 1,6-bis(3-nitropropanoate)KEGG COMPOUND
Manual XrefsDatabases
C08473KEGG COMPOUND
C00001531KNApSAcK
Registry NumbersSources
CAS:39797-90-5KEGG COMPOUND