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CHEBI:146171 - fumigatin

ChEBI IDCHEBI:146171
ChEBI Namefumigatin
Stars
DefinitionA 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.
Last Modified5 March 2020
SubmitterAdnan
DownloadsMolfile
FormulaC8H8O4
Net Charge0
Average Mass168.148
Monoisotopic Mass168.04226
SMILESCOC1=C(O)C(=O)C(C)=CC1=O
InChIInChI=1S/C8H8O4/c1-4-3-5(9)8(12-2)7(11)6(4)10/h3,11H,1-2H3
InChIKeyGSNBWTFAGXSQCO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - PubMed (31124)
Roles Classification
Biological Roles:
mycotoxin  Poisonous substance produced by fungi.
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
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  Source
fumigatinChemIDplus
3-hydroxy-2-methoxy-5-methyl-2,5-cyclohexadiene-1,4-dioneChEBI
3-hydroxy-2-methoxy-5-methyl-1,4-benzoquinoneChEBI
3-demethylubiquinone 0ChEBI
Registry NumbersSources
CAS:484-89-9ChemIDplus
Citations