CHEBI:81874 - nogalaviketone

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ChEBI Name nogalaviketone ChEBI ID CHEBI:81874 Definition A methyl ester derived from (1R,2S)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid. 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 C21H16O8 Net Charge 0 Average Mass 396.34690 Monoisotopic Mass 396.08452 InChI InChI=1S/C21H16O8/c1-21(28)7-12(23)14-9(16(21)20(27)29-2)6-10-15(19(14)26)18(25)13-8(17(10)24)4-3-5-11(13)22/h3-6,16,22,26,28H,7H2,1-2H3/t16-,21-/m0/s1 InChIKey NIJCZTKHKOATFT-KKSFZXQISA-N SMILES COC(=O)[C@@H]1c2cc3C(=O)c4cccc(O)c4C(=O)c3c(O)c2C(=O)C[C@]1(C)O Metabolite of Species Details Streptomyces galilaeus (NCBI:txid33899) See: PubMed Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing nogalaviketone (CHEBI:81874) has role bacterial metabolite (CHEBI:76969) nogalaviketone (CHEBI:81874) is a p-quinones (CHEBI:25830) nogalaviketone (CHEBI:81874) is a methyl ester (CHEBI:25248) nogalaviketone (CHEBI:81874) is a polyketide (CHEBI:26188) nogalaviketone (CHEBI:81874) is a tertiary alcohol (CHEBI:26878) nogalaviketone (CHEBI:81874) is a tetracenequinones (CHEBI:51286) nogalaviketone (CHEBI:81874) is a tetracenes (CHEBI:51270) nogalaviketone (CHEBI:81874) is conjugate acid of nogalaviketone(1−) (CHEBI:84342) Incoming nogalaviketone(1−) (CHEBI:84342) is conjugate base of nogalaviketone (CHEBI:81874) IUPAC Name methyl (1R,2S)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate Manual Xrefs Databases C18630 KEGG COMPOUND CPD-15808 MetaCyc View more database links Citation Type Source 16414075 PubMed citation Europe PMC Last Modified 06 June 2016