4,7-dihydroxy-5-methylcoumarin (CHEBI:146006)

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ChEBI Name	4,7-dihydroxy-5-methylcoumarin

ChEBI ID	CHEBI:146006

Definition	A hydroxycoumarin that is 2H-chromen-2-one substituted by a hydroxy group at positions 4 and 7, and a methyl group at position 5.

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

Supplier Information

Download	Molfile XML SDF

Formula

C10H8O4

Net Charge

Average Mass

192.170

Monoisotopic Mass

192.04226

InChI

InChI=1S/C10H8O4/c1-5-2-6(11)3-8-10(5)7(12)4-9(13)14-8/h2-4,11-12H,1H3

InChIKey

OZEQMLIYSCBNBR-UHFFFAOYSA-N

SMILES

C1(=CC(=CC2=C1C(=CC(O2)=O)O)O)C

Metabolite of Species	Details
Aloe megalacantha (NCBI:txid1389516)	Found in root (BTO:0001188). See: PubMed
Aspergillus desertorum (NCBI:txid1810909)	See: PubMed

Roles Classification
Biological Role(s):	Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	4,7-dihydroxy-5-methylcoumarin (CHEBI:146006) has role Aspergillus metabolite (CHEBI:76956) 4,7-dihydroxy-5-methylcoumarin (CHEBI:146006) has role plant metabolite (CHEBI:76924) 4,7-dihydroxy-5-methylcoumarin (CHEBI:146006) is a hydroxycoumarin (CHEBI:37912) 4,7-dihydroxy-5-methylcoumarin (CHEBI:146006) is conjugate acid of 4,7-dihydroxy-5-methylcoumarin(1−) (CHEBI:145990)

Incoming	7-demethylsiderin (CHEBI:145991) has functional parent 4,7-dihydroxy-5-methylcoumarin (CHEBI:146006) 4,7-dihydroxy-5-methylcoumarin(1−) (CHEBI:145990) is conjugate base of 4,7-dihydroxy-5-methylcoumarin (CHEBI:146006)

IUPAC Name

4,7-dihydroxy-5-methyl-2H-chromen-2-one

Synonym	Source
4,7-dihydroxy-5-methyl-2H-1-benzopyran-2-one	IUPAC

Last Modified

06 February 2020