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CHEBI:77647 - 2,3',4,6-tetrahydroxybenzophenone(1−)

ChEBI IDCHEBI:77647
ChEBI Name2,3',4,6-tetrahydroxybenzophenone(1−)
Stars
ASCII Name2,3',4,6-tetrahydroxybenzophenone(1-)
DefinitionA phenolate anion that is the conjugate base of 2,3',4,6-tetrahydroxybenzophenone, obtained by deprotonation of the phenolic hydroxy group at position 2; major species at pH 7.3.
Last Modified17 April 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC13H9O5
Net Charge-1
Average Mass245.210
Monoisotopic Mass245.04555
SMILESO=C(c1cccc(O)c1)c1c([O-])cc(O)cc1O
InChIInChI=1S/C13H10O5/c14-8-3-1-2-7(4-8)13(18)12-10(16)5-9(15)6-11(12)17/h1-6,14-17H/p-1
InChIKeyQWRYPHZJTWQLFX-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2,3',4,6-tetrahydroxybenzophenone(1−) (CHEBI:77647) is a phenolate anion (CHEBI:50525)
2,3',4,6-tetrahydroxybenzophenone(1−) (CHEBI:77647) is conjugate base of 2,3',4,6-tetrahydroxybenzophenone (CHEBI:15718)
Incoming Relation(s)
2,3',4,6-tetrahydroxybenzophenone (CHEBI:15718) is conjugate acid of 2,3',4,6-tetrahydroxybenzophenone(1−) (CHEBI:77647)
IUPAC Name 
3,5-dihydroxy-2-(3-hydroxybenzoyl)phenolate
UniProt Name  Source
2,3',4,6-tetrahydroxybenzophenoneUniProt