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CHEBI:150012 - dihydrogeodin(2−)

ChEBI IDCHEBI:150012
ChEBI Namedihydrogeodin(2−)
Stars
ASCII Namedihydrogeodin(2-)
DefinitionA phenolate anion obtained by deprotonation of the two phenolic hydroxy groups at positions 2 and 6 of dihydrogeodin. It is the major species at pH 7.3.
Last Modified18 June 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC17H12Cl2O7
Net Charge-2
Average Mass399.182
Monoisotopic Mass397.99711
SMILESCOC(=O)c1cc(O)cc(OC)c1C(=O)c1c([O-])c(Cl)c(C)c(Cl)c1[O-]
InChIInChI=1S/C17H14Cl2O7/c1-6-12(18)15(22)11(16(23)13(6)19)14(21)10-8(17(24)26-3)4-7(20)5-9(10)25-2/h4-5,20,22-23H,1-3H3/p-2
InChIKeyAXIPUIQLQUNOCF-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
dihydrogeodin(2−) (CHEBI:150012) is a phenolate anion (CHEBI:50525)
dihydrogeodin(2−) (CHEBI:150012) is conjugate base of dihydrogeodin (CHEBI:155891)
Incoming Relation(s)
dihydrogeodin (CHEBI:155891) is conjugate acid of dihydrogeodin(2−) (CHEBI:150012)
IUPAC Name 
4,6-dichloro-2-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)benzoyl]-5-methylbenzene-1,3-bis(olate)
Synonym  Source
dihydrogeodin dianionChEBI
UniProt Name  Source
dihydrogeodinUniProt
Manual XrefsDatabases
CPD-14537MetaCyc
Citations