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1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_90397

A 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.

Term info

Label

1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one(1-)

Synonyms
  • 2,4-dichloro-6-hexanoyl-5-hydroxy-3-methoxyphenolate
database cross reference
Subsets

3_STAR

IUPAC NAME
2,4-dichloro-6-hexanoyl-5-hydroxy-3-methoxyphenolate [ IUPAC ]

charge

-1

formula

C13H15Cl2O4

has obo namespace

chebi_ontology

has related synonym

DIF 1(1-), differentiation-inducing factor-1(1-), differentiation-inducing factor 1(1-), 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one, DIF-1(1-)

id

CHEBI:90397

inchi

InChI=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

inchikey

VUDQSRFCCHQIIU-UHFFFAOYSA-M

mass

306.162

monoisotopicmass

305.03529

smiles

C(CCCCC)(=O)C1=C(C(=C(C(=C1O)Cl)OC)Cl)[O-]