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CHEBI:81873 - 12-deoxynogalonic acid
| Formula | C20H16O7 |
| Net Charge | 0 |
| Average Mass | 368.341 |
| Monoisotopic Mass | 368.08960 |
| SMILES | CC(=O)CC(=O)c1c(CC(=O)O)cc2c(c1O)C(=O)c1c(O)cccc1C2 |
| InChI | InChI=1S/C20H16O7/c1-9(21)5-14(23)17-12(8-15(24)25)7-11-6-10-3-2-4-13(22)16(10)19(26)18(11)20(17)27/h2-4,7,22,27H,5-6,8H2,1H3,(H,24,25) |
| InChIKey | YUGKGSBEHZYJDB-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces nogalater (ncbitaxon:38314) | - | PubMed (20052967) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 12-deoxynogalonic acid (CHEBI:81873) has functional parent anthrone (CHEBI:33835) |
| 12-deoxynogalonic acid (CHEBI:81873) has role bacterial metabolite (CHEBI:76969) |
| 12-deoxynogalonic acid (CHEBI:81873) is a anthracenes (CHEBI:46955) |
| 12-deoxynogalonic acid (CHEBI:81873) is a aromatic ketone (CHEBI:76224) |
| 12-deoxynogalonic acid (CHEBI:81873) is a cyclic ketone (CHEBI:3992) |
| 12-deoxynogalonic acid (CHEBI:81873) is a oxo monocarboxylic acid (CHEBI:35871) |
| 12-deoxynogalonic acid (CHEBI:81873) is a polyketide (CHEBI:26188) |
| 12-deoxynogalonic acid (CHEBI:81873) is a polyphenol (CHEBI:26195) |
| 12-deoxynogalonic acid (CHEBI:81873) is conjugate acid of 12-deoxynogalonate(1−) (CHEBI:84900) |
| Incoming Relation(s) |
| 12-deoxynogalonate(1−) (CHEBI:84900) is conjugate base of 12-deoxynogalonic acid (CHEBI:81873) |
| IUPAC Name |
|---|
| [4,5-dihydroxy-10-oxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetic acid |
| Citations |
|---|