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CHEBI:149533 - flavokermesate 7-C-β-D-glucoside(2−)

ChEBI IDCHEBI:149533
ChEBI Nameflavokermesate 7-C-β-D-glucoside(2−)
Stars
ASCII Nameflavokermesate 7-C-beta-D-glucoside(2-)
DefinitionThe beta configuration has been determined in Fiecchi et al (1981) J. Org. Chem. DOI:10.1021/jo00320a061. for kermesic acid
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H18O12
Net Charge-2
Average Mass474.374
Monoisotopic Mass474.08092
SMILESCc1c(C(=O)[O-])c(O)cc2c1C(=O)c1c(cc([O-])c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1O)C2=O
InChIInChI=1S/C22H20O12/c1-5-11-6(2-8(24)12(5)22(32)33)15(26)7-3-9(25)14(18(29)13(7)17(11)28)21-20(31)19(30)16(27)10(4-23)34-21/h2-3,10,16,19-21,23-25,27,29-31H,4H2,1H3,(H,32,33)/p-2/t10-,16-,19+,20-,21+/m1/s1
InChIKeyJJQLPVPDBCOEKG-ZZYYVCGHSA-L
ChEBI Ontology
Outgoing Relation(s)
flavokermesate 7-C-β-D-glucoside(2−) (CHEBI:149533) is a monocarboxylic acid anion (CHEBI:35757)
UniProt Name  Source
flavokermesate 7-C-β-D-glucosideUniProt
Citations