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CHEBI:149530 - kermesate

ChEBI IDCHEBI:149530
ChEBI Namekermesate
Stars
DefinitionA monocarboxylic acid that is the conjugate base of kermesic acid, obtained from the deprotonation of the carboxy group. Major species at pH 7.3.
Last Modified19 May 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H9O8
Net Charge-1
Average Mass329.240
Monoisotopic Mass329.03029
SMILESCc1c(C(=O)[O-])c(O)cc2c1C(=O)c1c(O)cc(O)c(O)c1C2=O
InChIInChI=1S/C16H10O8/c1-4-9-5(2-6(17)10(4)16(23)24)13(20)12-11(15(9)22)7(18)3-8(19)14(12)21/h2-3,17-19,21H,1H3,(H,23,24)/p-1
InChIKeyCXORMDKZEUMQHX-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
kermesate (CHEBI:149530) is a monocarboxylic acid anion (CHEBI:35757)
kermesate (CHEBI:149530) is conjugate base of kermesic acid (CHEBI:90183)
Incoming Relation(s)
kermesic acid (CHEBI:90183) is conjugate acid of kermesate (CHEBI:149530)
IUPAC Name 
3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate
Synonym  Source
kermesic acid(1−)ChEBI
UniProt Name  Source
kermesateUniProt
Citations