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

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ChEBI Name 5,7-dihydroxy-4-methylphthalide
ChEBI ID CHEBI:68194
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C9H8O4
Net Charge 0
Average Mass 180.159
Monoisotopic Mass 180.04226
InChI InChI=1S/C9H8O4/c1-4-5-3-13-9(12)8(5)7(11)2-6(4)10/h2,10-11H,3H2,1H3
InChIKey GXYQICKPCCBIIX-UHFFFAOYSA-N
SMILES CC1=C(O)C=C(O)C2=C1COC2=O
Metabolite of Species Details
Eurotium repens (NCBI:txid41409) EtOAc extract of Lyophilized fungus which was homogenized with acetone See: PubMed
Aspergillus flavus (NCBI:txid5059) See: PubMed
Microascus tardifaciens (NCBI:txid5594) See: PubMed
Penicillium parvum (NCBI:txid70113) See: PubMed
Roles Classification
Chemical Role(s): 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 Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 γ-lactone (CHEBI:37581)
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)
IUPAC Name
5,7-dihydroxy-4-methyl-2-benzofuran-1(3H)-one
Synonyms Sources
3,5-dihydroxy-6-methylphthalide
Note: (2021-03-19) synonym based on structure numbering found in PMID:31209052.
 ChEBI
4-methyl-5,7-dihydroxyisobenzofuran-1(3H)-one ChEBI
5,7-dihydroxy-4-methyl-1(3H)-isobenzofuranone ChEBI
5,7-dihydroxy-4-methyl-1,3-dihydro-2-benzofuran-1-one ChEBI
5,7-dihydroxy-4-methyl-3H-2-benzofuran-1-one ChEBI
5,7-dihydroxy-4-methylisobenzofuran-1(3H)-one ChEBI
5,7-dihydroxy-4-methylphthalide UniProt
Manual Xrefs Databases
24022210 ChemSpider
C00038282 KNApSAcK
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Registry Number Type Source
27979-57-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10553639 PubMed citation Europe PMC
15640234 PubMed citation Europe PMC
18991460 PubMed citation Europe PMC
21667972 PubMed citation Europe PMC
22544261 PubMed citation Europe PMC
31209052 PubMed citation Europe PMC
4629904 PubMed citation Europe PMC
Last Modified
19 March 2021