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CHEBI:81874 - nogalaviketone
| Formula | C21H16O8 |
| Net Charge | 0 |
| Average Mass | 396.351 |
| Monoisotopic Mass | 396.08452 |
| SMILES | COC(=O)[C@@H]1c2cc3c(c(O)c2C(=O)C[C@]1(C)O)C(=O)c1c(O)cccc1C3=O |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces galilaeus (ncbitaxon:33899) | - | PubMed (16414075) |
| Roles Classification |
|---|
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 |
| Citations |
|---|