CHEBI:77886 - demethylsulochrin(2−)

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ChEBI Name demethylsulochrin(2−)
ChEBI ID CHEBI:77886
ChEBI ASCII Name demethylsulochrin(2-)
Definition A 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.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C16H12O7
Net Charge -2
Average Mass 316.26340
Monoisotopic Mass 316.05940
InChI InChI=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
InChIKey XMNMFMYKFRXRFH-UHFFFAOYSA-L
SMILES COc1cc(O)cc(C([O-])=O)c1C(=O)c1c(O)cc(C)cc1[O-]
ChEBI Ontology
Outgoing 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 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
Synonym Source
demethylsulochrin UniProt
Last Modified
11 June 2014