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CHEBI:79174 - 2,2',3-trihydroxydiphenyl ether(2−)

ChEBI IDCHEBI:79174
ChEBI Name2,2',3-trihydroxydiphenyl ether(2−)
Stars
ASCII Name2,2',3-trihydroxydiphenyl ether(2-)
DefinitionA phenolate anion obtained by selective deprotonation of the 2- and 2'-hydroxy groups of 2,2',3-trihydroxydiphenyl ether. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified29 September 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC12H8O4
Net Charge-2
Average Mass216.192
Monoisotopic Mass216.04336
SMILES[O-]c1ccccc1Oc1cccc(O)c1[O-]
InChIInChI=1S/C12H10O4/c13-8-4-1-2-6-10(8)16-11-7-3-5-9(14)12(11)15/h1-7,13-15H/p-2
InChIKeyXEAZDMSYJLCYDK-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
2,2',3-trihydroxydiphenyl ether(2−) (CHEBI:79174) is a phenolate anion (CHEBI:50525)
2,2',3-trihydroxydiphenyl ether(2−) (CHEBI:79174) is conjugate base of 2,2',3-trihydroxydiphenyl ether (CHEBI:27381)
Incoming Relation(s)
2,2',3-trihydroxydiphenyl ether (CHEBI:27381) is conjugate acid of 2,2',3-trihydroxydiphenyl ether(2−) (CHEBI:79174)
IUPAC Name 
2-hydroxy-6-(2-oxidophenoxy)phenolate
Synonym  Source
2,2',3-trihydroxydiphenyl ether dianionChEBI
UniProt Name  Source
2,2',3-trihydroxydiphenyl etherUniProt