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CHEBI:69474 - 2,6,7-trihydroxy-3-methylnaphthalene-1,4-dione

ChEBI IDCHEBI:69474
ChEBI Name2,6,7-trihydroxy-3-methylnaphthalene-1,4-dione
Stars
DefinitionA naphthoquinone that is naphthalene-1,4-dione substituted by hydroxy groups at positions 2, 6 and 7 and a methyl group at position 3. It has been isolated from Penicillium purpurogenum.
Last Modified9 June 2016
DownloadsMolfile
FormulaC11H8O5
Net Charge0
Average Mass220.180
Monoisotopic Mass220.03717
SMILESCC1=C(O)C(=O)c2cc(O)c(O)cc2C1=O
InChIInChI=1S/C11H8O5/c1-4-9(14)5-2-7(12)8(13)3-6(5)11(16)10(4)15/h2-3,12-13,15H,1H3
InChIKeyNFPCJUXQJHJTIF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium purpurogenum (ncbitaxon:28575) mycelium (BTO:0001436) PubMed (21879714) Ethylacetate extract of fermentation broth and acetone extract of mycelia Strain: JS03 21
Roles Classification
Biological Role:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
ChEBI Ontology
Outgoing Relation(s)
2,6,7-trihydroxy-3-methylnaphthalene-1,4-dione (CHEBI:69474) has role Penicillium metabolite (CHEBI:76964)
2,6,7-trihydroxy-3-methylnaphthalene-1,4-dione (CHEBI:69474) is a hydroxy-1,4-naphthoquinone (CHEBI:132157)
2,6,7-trihydroxy-3-methylnaphthalene-1,4-dione (CHEBI:69474) is a phenols (CHEBI:33853)
IUPAC Name 
2,6,7-trihydroxy-3-methylnaphthalene-1,4-dione
Manual XrefsDatabases
26617211ChemSpider
Registry NumbersSources
Reaxys:21878449Reaxys
Citations