CHEBI:146171 - fumigatin

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ChEBI Name fumigatin
ChEBI ID CHEBI:146171
Definition A member of the class of monohydroxy-1,4-benzoquinones that is 1,4-benzoquinone which is substituted by a methoxy, hydroxy and methyl group at positions 2,3 and 5, respectively. It is a mycotoxin isolated from Aspergillus fumigatus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000085560803
Download Molfile XML SDF
Formula C8H8O4
Net Charge 0
Average Mass 168.148
Monoisotopic Mass 168.04226
InChI InChI=1S/C8H8O4/c1-4-3-5(9)8(12-2)7(11)6(4)10/h3,11H,1-2H3
InChIKey GSNBWTFAGXSQCO-UHFFFAOYSA-N
SMILES C1=C(C(C(=C(C1=O)OC)O)=O)C
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) See: PubMed
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
mycotoxin
Poisonous substance produced by fungi.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing fumigatin (CHEBI:146171) has functional parent 2,3-dihydroxy-5-methyl-1,4-benzoquinone (CHEBI:46691)
fumigatin (CHEBI:146171) has role Aspergillus metabolite (CHEBI:76956)
fumigatin (CHEBI:146171) has role mycotoxin (CHEBI:25442)
fumigatin (CHEBI:146171) is a monohydroxy-1,4-benzoquinones (CHEBI:67273)
IUPAC Name
3-hydroxy-2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
Synonyms Sources
3-demethylubiquinone 0 ChEBI
3-hydroxy-2-methoxy-5-methyl-1,4-benzoquinone ChEBI
3-hydroxy-2-methoxy-5-methyl-2,5-cyclohexadiene-1,4-dione ChEBI
fumigatin ChemIDplus
Registry Number Type Source
484-89-9 CAS Registry Number ChemIDplus
Citations Types Sources
23537878 PubMed citation Europe PMC
23711526 PubMed citation Europe PMC
23817078 PubMed citation Europe PMC
31124 PubMed citation Europe PMC
Last Modified
05 March 2020