CHEBI:150868 - (+)-geodin(1−)

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ChEBI Name (+)-geodin(1−)
ChEBI ID CHEBI:150868
ChEBI ASCII Name (+)-geodin(1-)
Definition A phenolate anion that is the conjugate base of (+)-geodin, arising from the deprotonation of the hydroxy group. Major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information ChemicalBook:CB6730574, eMolecules:26354155, eMolecules:2725230, eMolecules:501849, ZINC000004474604
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Formula C17H11Cl2O7
Net Charge -1
Average Mass 398.170
Monoisotopic Mass 396.98873
InChI InChI=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
InChIKey LUBKKVGXMXTXOZ-QGZVFWFLSA-M
SMILES C=1(C2=C(C(=C(C1Cl)C)Cl)O[C@]3(C2=O)C(=CC(C=C3OC)=O)C(OC)=O)[O-]
ChEBI Ontology
Outgoing (+)-geodin(1−) (CHEBI:150868) is a phenolate anion (CHEBI:50525)
(+)-geodin(1−) (CHEBI:150868) is conjugate base of (+)-geodin (CHEBI:150867)
Incoming (+)-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 Sources
(+)-geodin UniProt
estin(1−) ChEBI
geodin(1−) ChEBI
Citations Waiting for Citations Types Sources
16320762 PubMed citation Europe PMC
17689800 PubMed citation Europe PMC
21368412 PubMed citation Europe PMC
30995533 PubMed citation Europe PMC
Last Modified
15 July 2020