2',6'-dihydroxy-4'-methoxyacetophenone (CHEBI:28758)

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ChEBI Name	2',6'-dihydroxy-4'-methoxyacetophenone

ChEBI ID	CHEBI:28758

Definition	A member of the class of acetophenones that is 2',4',6'-trihydroxyacetophenone in which the hydroxy group at position 4' is replaced by a methoxy group.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:831, CHEBI:19222

Supplier Information

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Formula

C9H10O4

Net Charge

Average Mass

182.175

Monoisotopic Mass

182.05791

InChI

InChI=1S/C9H10O4/c1-5(10)9-7(11)3-6(13-2)4-8(9)12/h3-4,11-12H,1-2H3

InChIKey

GKSGTWUNURZTKD-UHFFFAOYSA-N

SMILES

COC1=CC(O)=C(C(C)=O)C(O)=C1

Metabolite of Species	Details
Sanguisorba minor (NCBI:txid137456)	Found in Root (BTO:0001188). See: DOI

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. phytoalexin A toxin made by a plant that acts against an organism attacking it.

ChEBI Ontology
Outgoing	2',6'-dihydroxy-4'-methoxyacetophenone (CHEBI:28758) has functional parent 2',4',6'-trihydroxyacetophenone (CHEBI:64344) 2',6'-dihydroxy-4'-methoxyacetophenone (CHEBI:28758) has role phytoalexin (CHEBI:26115) 2',6'-dihydroxy-4'-methoxyacetophenone (CHEBI:28758) has role plant metabolite (CHEBI:76924) 2',6'-dihydroxy-4'-methoxyacetophenone (CHEBI:28758) is a dihydroxyacetophenone (CHEBI:23776) 2',6'-dihydroxy-4'-methoxyacetophenone (CHEBI:28758) is a monomethoxybenzene (CHEBI:25235) 2',6'-dihydroxy-4'-methoxyacetophenone (CHEBI:28758) is a resorcinols (CHEBI:33572)

IUPAC Name

1-(2,6-dihydroxy-4-methoxyphenyl)ethanone

Synonyms	Sources
1-(2,6-dihydroxy-4-methoxyphenyl)ethan-1-one	IUPAC
2',6'-dihydroxy-4'-methoxyacetophenone	KEGG COMPOUND
2,6-dihydroxy-4-methoxyacetophenone	NIST Chemistry WebBook
2-acetyl-5-methoxyresorcinol	ChEBI
4-O-methylphloracetophenone	NIST Chemistry WebBook

Registry Number	Type	Source
7507-89-3	CAS Registry Number	NIST Chemistry WebBook

Last Modified

14 September 2023