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

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ChEBI Name 2,6,7-trihydroxy-3-methylnaphthalene-1,4-dione ChEBI ID CHEBI:69474 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C11H8O5 Net Charge 0 Average Mass 220.17820 Monoisotopic Mass 220.03717 InChI InChI=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 InChIKey NFPCJUXQJHJTIF-UHFFFAOYSA-N SMILES CC1=C(O)C(=O)c2cc(O)c(O)cc2C1=O 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): Penicillium metabolite Any fungal metabolite produced during a metabolic reaction in Penicillium. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Xref Database 26617211 ChemSpider View more database links Registry Number Type Source 21878449 Reaxys Registry Number Reaxys Citation Type Source 21879714 PubMed citation Europe PMC Last Modified 09 June 2016