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CHEBI:68194 - 5,7-dihydroxy-4-methylphthalide

ChEBI IDCHEBI:68194
ChEBI Name5,7-dihydroxy-4-methylphthalide
Stars
DefinitionA member of the class of 2-benzofurans that is 1,3-dihydro-2-benzofuran substituted by oxo, methyl, hydroxy and hydroxy groups at positions 1,4,5, and 7, respectively. It is a natural product found in several genera of fungi including Eurotium repens.
Last Modified19 March 2021
DownloadsMolfile
FormulaC9H8O4
Net Charge0
Average Mass180.159
Monoisotopic Mass180.04226
SMILESCc1c(O)cc(O)c2c1COC2=O
InChIInChI=1S/C9H8O4/c1-4-5-3-13-9(12)8(5)7(11)2-6(4)10/h2,10-11H,3H2,1H3
InChIKeyGXYQICKPCCBIIX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Eurotium repens (ncbitaxon:41409) - PubMed (21667972) EtOAc extract of Lyophilized fungus which was homogenized with acetone
Penicillium parvum (ncbitaxon:70113) - PubMed (18991460)
Microascus tardifaciens (ncbitaxon:5594) - PubMed (10553639)
Aspergillus flavus (ncbitaxon:5059) - PubMed (4629904)
Roles Classification
Chemical Role:
impurity  A chemical role played by any unwanted chemical substance inside a confined amount of liquid, gas, or solid, which differs from the chemical composition of the material or compound. For example, an impurity can be an undesired by-product of a chemical reaction or manufacturing process, a drug contaminant, or can be created upon degradation during storage.
Biological Roles:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
ChEBI Ontology
Outgoing Relation(s)
5,7-dihydroxy-4-methylphthalide (CHEBI:68194) has role Aspergillus metabolite (CHEBI:76956)
5,7-dihydroxy-4-methylphthalide (CHEBI:68194) has role Penicillium metabolite (CHEBI:76964)
5,7-dihydroxy-4-methylphthalide (CHEBI:68194) has role impurity (CHEBI:143130)
5,7-dihydroxy-4-methylphthalide (CHEBI:68194) is a 2-benzofurans (CHEBI:38831)
5,7-dihydroxy-4-methylphthalide (CHEBI:68194) is a phenols (CHEBI:33853)
5,7-dihydroxy-4-methylphthalide (CHEBI:68194) is a γ-lactone (CHEBI:37581)
IUPAC Name 
5,7-dihydroxy-4-methyl-2-benzofuran-1(3H)-one
Synonyms  Source
5,7-dihydroxy-4-methyl-3H-2-benzofuran-1-oneChEBI
5,7-dihydroxy-4-methyl-1,3-dihydro-2-benzofuran-1-oneChEBI
5,7-dihydroxy-4-methylisobenzofuran-1(3H)-oneChEBI
5,7-dihydroxy-4-methyl-1(3H)-isobenzofuranoneChEBI
4-methyl-5,7-dihydroxyisobenzofuran-1(3H)-oneChEBI
3,5-dihydroxy-6-methylphthalideChEBI
UniProt Name  Source
5,7-dihydroxy-4-methylphthalideUniProt
Manual XrefsDatabases
C00038282KNApSAcK
24022210ChemSpider
Registry NumbersSources
CAS:27979-57-3ChemIDplus
Citations