CHEBI:85142 - methyl nogalonate

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ChEBI Name methyl nogalonate ChEBI ID CHEBI:85142 Definition The methyl ester of nogalonic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:31916 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 C21H16O8 Net Charge 0 Average Mass 396.34690 Monoisotopic Mass 396.08452 InChI InChI=1S/C21H16O8/c1-9(22)6-14(24)16-10(8-15(25)29-2)7-12-18(20(16)27)21(28)17-11(19(12)26)4-3-5-13(17)23/h3-5,7,23,27H,6,8H2,1-2H3 InChIKey QBPKMZSXGLNWOB-UHFFFAOYSA-N SMILES COC(=O)Cc1cc2C(=O)c3cccc(O)c3C(=O)c2c(O)c1C(=O)CC(C)=O ChEBI Ontology Outgoing methyl nogalonate (CHEBI:85142) has functional parent nogalonic acid (CHEBI:31915) methyl nogalonate (CHEBI:85142) is a dihydroxyanthraquinone (CHEBI:37484) methyl nogalonate (CHEBI:85142) is a methyl ester (CHEBI:25248) methyl nogalonate (CHEBI:85142) is a polyketide (CHEBI:26188) methyl nogalonate (CHEBI:85142) is a polyphenol (CHEBI:26195) methyl nogalonate (CHEBI:85142) is conjugate acid of methyl nogalonate(1−) (CHEBI:84345) Incoming methyl nogalonate(1−) (CHEBI:84345) is conjugate base of methyl nogalonate (CHEBI:85142) IUPAC Name methyl (3-acetoacetyl-4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)acetate Synonym Source nogalonic acid methyl ester ChEBI Manual Xrefs Databases C12415 KEGG COMPOUND CPD-15806 MetaCyc View more database links Citations Types Sources 15071504 PubMed citation Europe PMC 16414075 PubMed citation Europe PMC Last Modified 14 January 2020