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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name flavokermesate 7-C-β-D-glucoside(2−)
ChEBI ID CHEBI:149533
ChEBI ASCII Name flavokermesate 7-C-beta-D-glucoside(2-)
Definition The beta configuration has been determined in Fiecchi et al (1981) J. Org. Chem. DOI:10.1021/jo00320a061. for kermesic acid
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information ZINC000001855333
Download Molfile XML SDF
Formula C22H18O12
Net Charge -2
Average Mass 474.375
Monoisotopic Mass 474.08092
InChI InChI=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
InChIKey JJQLPVPDBCOEKG-ZZYYVCGHSA-L
SMILES C=1(C(=C2C(C3=C(C=C(O)C(C([O-])=O)=C3C)C(C2=CC1[O-])=O)=O)O)[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO
ChEBI Ontology
Outgoing flavokermesate 7-C-β-D-glucoside(2−) (CHEBI:149533) is a monocarboxylic acid anion (CHEBI:35757)
Synonym Source
flavokermesate 7-C-β-D-glucoside UniProt
Citation Type Source
29215010 PubMed citation SUBMITTER