CHEBI:77987 - aklanonate(2−)

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ChEBI Name aklanonate(2−) ChEBI ID CHEBI:77987 ChEBI ASCII Name aklanonate(2-) Definition A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and 5-hydroxy groups of aklanonic acid. 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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H14O8 Net Charge -2 Average Mass 394.33220 Monoisotopic Mass 394.06996 InChI InChI=1S/C21H16O8/c1-2-10(22)8-14(24)16-9(7-15(25)26)6-12-18(20(16)28)21(29)17-11(19(12)27)4-3-5-13(17)23/h3-6,23,28H,2,7-8H2,1H3,(H,25,26)/p-2 InChIKey OSKHFTHBEFJNCM-UHFFFAOYSA-L SMILES CCC(=O)CC(=O)c1c(O)c2C(=O)c3c([O-])cccc3C(=O)c2cc1CC([O-])=O ChEBI Ontology Outgoing aklanonate(2−) (CHEBI:77987) is a oxo monocarboxylic acid anion (CHEBI:35902) aklanonate(2−) (CHEBI:77987) is a phenolate anion (CHEBI:50525) aklanonate(2−) (CHEBI:77987) is conjugate base of aklanonate (CHEBI:75309) Incoming aklanonate (CHEBI:75309) is conjugate acid of aklanonate(2−) (CHEBI:77987) IUPAC Name [4-hydroxy-5-oxido-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetate Synonym Source aklanonate UniProt Citations Types Sources 3464736 PubMed citation Europe PMC 3862658 PubMed citation Europe PMC 9098068 PubMed citation Europe PMC Last Modified 20 June 2014