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CHEBI:75309 - aklanonate

ChEBI IDCHEBI:75309
ChEBI Nameaklanonate
Stars
DefinitionAn oxo monocarboxylic acid anion that is the monoanion obtained by the deprotonation of the carboxy group of aklanonic acid.
Last Modified22 June 2018
SubmitterKAX
DownloadsMolfile
FormulaC21H15O8
Net Charge-1
Average Mass395.343
Monoisotopic Mass395.07724
SMILESCCC(=O)CC(=O)c1c(CC(=O)[O-])cc2c(c1O)C(=O)c1c(O)cccc1C2=O
InChIInChI=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-1
InChIKeyOSKHFTHBEFJNCM-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
aklanonate (CHEBI:75309) is a oxo monocarboxylic acid anion (CHEBI:35902)
aklanonate (CHEBI:75309) is conjugate acid of aklanonate(2−) (CHEBI:77987)
aklanonate (CHEBI:75309) is conjugate base of aklanonic acid (CHEBI:31178)
Incoming Relation(s)
aklanonic acid (CHEBI:31178) is conjugate acid of aklanonate (CHEBI:75309)
aklanonate(2−) (CHEBI:77987) is conjugate base of aklanonate (CHEBI:75309)
IUPAC Name 
[4,5-dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetate
Manual XrefsDatabases
CPD-15738MetaCyc
Citations