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CHEBI:90397 - 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one(1−)

ChEBI IDCHEBI:90397
ChEBI Name1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one(1−)
Stars
ASCII Name1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one(1-)
DefinitionA phenolate anion resulting from the removal of a proton from one of the hydroxy groups of 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one (DIF-1). The major structure at pH 7.3.
Last Modified19 November 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC13H15Cl2O4
Net Charge-1
Average Mass306.165
Monoisotopic Mass305.03529
SMILESCCCCCC(=O)c1c([O-])c(Cl)c(OC)c(Cl)c1O
InChIInChI=1S/C13H16Cl2O4/c1-3-4-5-6-7(16)8-11(17)9(14)13(19-2)10(15)12(8)18/h17-18H,3-6H2,1-2H3/p-1
InChIKeyVUDQSRFCCHQIIU-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one(1−) (CHEBI:90397) is a phenolate anion (CHEBI:50525)
1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one(1−) (CHEBI:90397) is conjugate base of 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one (CHEBI:64598)
Incoming Relation(s)
1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one (CHEBI:64598) is conjugate acid of 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one(1−) (CHEBI:90397)
IUPAC Name 
2,4-dichloro-6-hexanoyl-5-hydroxy-3-methoxyphenolate
Synonyms  Source
differentiation-inducing factor-1(1−)ChEBI
DIF-1(1−)ChEBI
differentiation-inducing factor 1(1−)ChEBI
DIF 1(1−)ChEBI
UniProt Name  Source
1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-oneUniProt
Citations