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CHEBI:3886 - Coronarian

ChEBI IDCHEBI:3886
ChEBI NameCoronarian
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](O)[C@H](OC(=O)CC[N+](=O)[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(12(19)25-6)26-8(16)2-4-14(22)23/h6,9-12,17-19H,1-5H2/t6-,9-,10+,11-,12+/m1/s1
InChIKeyVDUXCWJUZIOGJA-JPXBYFMYSA-N
ChEBI Ontology
Outgoing Relation(s)
Coronarian (CHEBI:3886) is a oxanes (CHEBI:46942)
Synonyms  Source
CoronarianKEGG COMPOUND
alpha-D-Glucopyranose, 2,6-bis(3-nitropropanoate)KEGG COMPOUND
Manual XrefsDatabases
C08474KEGG COMPOUND
C00001532KNApSAcK
Registry NumbersSources
CAS:63505-68-0KEGG COMPOUND