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CHEBI:208841 - 2-Hydroxy-3-(4-hydroxy-3-nitrophenyl)-propionic acid methyl ester

ChEBI IDCHEBI:208841
ChEBI Name2-Hydroxy-3-(4-hydroxy-3-nitrophenyl)-propionic acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H11NO6
Net Charge0
Average Mass241.199
Monoisotopic Mass241.05864
SMILESCOC(=O)[C@@H](O)Cc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11NO6/c1-17-10(14)9(13)5-6-2-3-8(12)7(4-6)11(15)16/h2-4,9,12-13H,5H2,1H3/t9-/m0/s1
InChIKeyYUPKNIBMTXNJKR-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Salegentibacterspecies T436 (ncbitaxon:1729720) - PubMed (17551208)
ChEBI Ontology
Outgoing Relation(s)
2-Hydroxy-3-(4-hydroxy-3-nitrophenyl)-propionic acid methyl ester (CHEBI:208841) is a nitrophenol (CHEBI:25562)
IUPAC Name 
methyl 2-hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoate
Manual XrefsDatabases
17627955ChemSpider