EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:210084 - 2-Chloro-3-(4-hydroxy-3,5-dinitrophenyl)-propionic acid methyl ester

ChEBI IDCHEBI:210084
ChEBI Name2-Chloro-3-(4-hydroxy-3,5-dinitrophenyl)-propionic acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H9ClN2O7
Net Charge0
Average Mass304.642
Monoisotopic Mass304.00983
SMILESCOC(=O)[C@@H](Cl)Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H9ClN2O7/c1-20-10(15)6(11)2-5-3-7(12(16)17)9(14)8(4-5)13(18)19/h3-4,6,14H,2H2,1H3/t6-/m0/s1
InChIKeyNBRUGZFZKMYYES-LURJTMIESA-N
Species of MetaboliteComponentSourceComments
Salegentibacterspecies T436 (ncbitaxon:1729720) - PubMed (17551208)
ChEBI Ontology
Outgoing Relation(s)
2-Chloro-3-(4-hydroxy-3,5-dinitrophenyl)-propionic acid methyl ester (CHEBI:210084) is a dinitrophenol (CHEBI:39352)
IUPAC Name 
methyl 2-chloro-3-(4-hydroxy-3,5-dinitrophenyl)propanoate
Manual XrefsDatabases
17627836ChemSpider