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

ChEBI IDCHEBI:146006
ChEBI Name4,7-dihydroxy-5-methylcoumarin
Stars
DefinitionA hydroxycoumarin that is 2H-chromen-2-one substituted by a hydroxy group at positions 4 and 7, and a methyl group at position 5.
Last Modified6 February 2020
SubmitterAdnan
DownloadsMolfile
FormulaC10H8O4
Net Charge0
Average Mass192.170
Monoisotopic Mass192.04226
SMILESCc1cc(O)cc2oc(=O)cc(O)c12
InChIInChI=1S/C10H8O4/c1-5-2-6(11)3-8-10(5)7(12)4-9(13)14-8/h2-4,11-12H,1H3
InChIKeyOZEQMLIYSCBNBR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus desertorum (ncbitaxon:1810909) - PubMed (28050053)
Aloe megalacantha (ncbitaxon:1389516) root (BTO:0001188) PubMed (28686200)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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-oneIUPAC
Citations