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CHEBI:150868 - (+)-geodin(1−)

ChEBI IDCHEBI:150868
ChEBI Name(+)-geodin(1−)
Stars
ASCII Name(+)-geodin(1-)
DefinitionA phenolate anion that is the conjugate base of (+)-geodin, arising from the deprotonation of the hydroxy group. Major species at pH 7.3.
Last Modified15 July 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC17H11Cl2O7
Net Charge-1
Average Mass398.174
Monoisotopic Mass396.98873
SMILESCOC(=O)C1=CC(=O)C=C(OC)[C@]12Oc1c(Cl)c(C)c(Cl)c([O-])c1C2=O
InChIInChI=1S/C17H12Cl2O7/c1-6-11(18)13(21)10-14(12(6)19)26-17(15(10)22)8(16(23)25-3)4-7(20)5-9(17)24-2/h4-5,21H,1-3H3/p-1/t17-/m1/s1
InChIKeyLUBKKVGXMXTXOZ-QGZVFWFLSA-M
ChEBI Ontology
Outgoing Relation(s)
(+)-geodin(1−) (CHEBI:150868) is a phenolate anion (CHEBI:50525)
(+)-geodin(1−) (CHEBI:150868) is conjugate base of (+)-geodin (CHEBI:150867)
Incoming Relation(s)
(+)-geodin (CHEBI:150867) is conjugate acid of (+)-geodin(1−) (CHEBI:150868)
IUPAC Name 
(1'R)-5,7-dichloro-2'-methoxy-6'-(methoxycarbonyl)-6-methyl-3,4'-dioxo-3H-spiro[[1]benzofuran-2,1'-cyclohexa[2,5]dien]-4-olate
Synonyms  Source
geodin(1−)ChEBI
estin(1−)ChEBI
UniProt Name  Source
(+)-geodinUniProt
Citations