CHEBI:69473 - purpurester B

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ChEBI Name purpurester B
ChEBI ID CHEBI:69473
Definition A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one substituted by hydroxy groups at positions 5 and 6, a methyl group at position 7 and a propylidene group at position 3. It has been isolated from Penicillium purpurogenum.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H12O4
Net Charge 0
Average Mass 220.22130
Monoisotopic Mass 220.07356
InChI InChI=1S/C12H12O4/c1-3-4-9-7-5-8(13)11(14)6(2)10(7)12(15)16-9/h4-5,13-14H,3H2,1-2H3/b9-4-
InChIKey JRDMQQKXYDXSJG-WTKPLQERSA-N
SMILES CC\C=C1/OC(=O)c2c1cc(O)c(O)c2C
Metabolite of Species Details
Penicillium purpurogenum (NCBI:txid28575) Found in mycelium (BTO:0001436). Ethylacetate extract of fermentation broth and acetone extract of mycelia of strain JS03 21 See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Penicillium metabolite
Any fungal metabolite produced during a metabolic reaction in Penicillium.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing purpurester B (CHEBI:69473) has role Penicillium metabolite (CHEBI:76964)
purpurester B (CHEBI:69473) has role metabolite (CHEBI:25212)
purpurester B (CHEBI:69473) is a γ-lactone (CHEBI:37581)
purpurester B (CHEBI:69473) is a 2-benzofurans (CHEBI:38831)
purpurester B (CHEBI:69473) is a catechols (CHEBI:33566)
IUPAC Name
(3Z)-5,6-dihydroxy-7-methyl-3-propylidene-2-benzofuran-1(3H)-one
Registry Number Type Source
21878447 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21879714 PubMed citation Europe PMC
Last Modified
07 November 2013