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CHEBI:205434 - (4-Hydroxy-3,5-dinitrophenyl)acetic acid methyl ester

ChEBI IDCHEBI:205434
ChEBI Name(4-Hydroxy-3,5-dinitrophenyl)acetic acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H8N2O7
Net Charge0
Average Mass256.170
Monoisotopic Mass256.03315
SMILESCOC(=O)Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H8N2O7/c1-18-8(12)4-5-2-6(10(14)15)9(13)7(3-5)11(16)17/h2-3,13H,4H2,1H3
InChIKeyJEPPUCFMMDZCPE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Salegentibacterspecies T436 (ncbitaxon:1729720) - PubMed (17551208)
ChEBI Ontology
Outgoing Relation(s)
(4-Hydroxy-3,5-dinitrophenyl)acetic acid methyl ester (CHEBI:205434) is a dinitrophenol (CHEBI:39352)
IUPAC Name 
methyl 2-(4-hydroxy-3,5-dinitrophenyl)acetate
Manual XrefsDatabases
16047838ChemSpider