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CHEBI:77886 - demethylsulochrin(2−)

ChEBI IDCHEBI:77886
ChEBI Namedemethylsulochrin(2−)
Stars
ASCII Namedemethylsulochrin(2-)
DefinitionA hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and one of the ortho-phenolic groups of demethylsulochrin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified11 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC16H12O7
Net Charge-2
Average Mass316.265
Monoisotopic Mass316.05940
SMILESCOc1cc(O)cc(C(=O)[O-])c1C(=O)c1c([O-])cc(C)cc1O
InChIInChI=1S/C16H14O7/c1-7-3-10(18)14(11(19)4-7)15(20)13-9(16(21)22)5-8(17)6-12(13)23-2/h3-6,17-19H,1-2H3,(H,21,22)/p-2
InChIKeyXMNMFMYKFRXRFH-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
demethylsulochrin(2−) (CHEBI:77886) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
demethylsulochrin(2−) (CHEBI:77886) is a phenolate anion (CHEBI:50525)
demethylsulochrin(2−) (CHEBI:77886) is conjugate base of demethylsulochrin(1−) (CHEBI:58760)
Incoming Relation(s)
demethylsulochrin(1−) (CHEBI:58760) is conjugate acid of demethylsulochrin(2−) (CHEBI:77886)
IUPAC Name 
5-hydroxy-2-(2-hydroxy-4-methyl-6-oxidobenzoyl)-3-methoxybenzoate
UniProt Name  Source
demethylsulochrinUniProt