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CHEBI:77765 - 2,4,6-trihydroxybenzophenone(1−)

ChEBI IDCHEBI:77765
ChEBI Name2,4,6-trihydroxybenzophenone(1−)
Stars
ASCII Name2,4,6-trihydroxybenzophenone(1-)
DefinitionA phenolate anion that is the conjugate base of 2,4,6-trihydroxybenzophenone, obtained by deprotonation of one of the two ortho-hydroxy groups. Major structure at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified10 June 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC13H9O4
Net Charge-1
Average Mass229.211
Monoisotopic Mass229.05063
SMILESO=C(c1ccccc1)c1c([O-])cc(O)cc1O
InChIInChI=1S/C13H10O4/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h1-7,14-16H/p-1
InChIKeyCPEXFJVZFNYXGU-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2,4,6-trihydroxybenzophenone(1−) (CHEBI:77765) is a phenolate anion (CHEBI:50525)
2,4,6-trihydroxybenzophenone(1−) (CHEBI:77765) is conjugate base of 2,4,6-trihydroxybenzophenone (CHEBI:28233)
Incoming Relation(s)
2,4,6-trihydroxybenzophenone (CHEBI:28233) is conjugate acid of 2,4,6-trihydroxybenzophenone(1−) (CHEBI:77765)
IUPAC Name 
2-benzoyl-3,5-dihydroxyphenolate
UniProt Name  Source
2,4,6-trihydroxybenzophenoneUniProt