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CHEBI:133855 - azanigerone D
| Formula | C19H23NO6 |
| Net Charge | 0 |
| Average Mass | 361.394 |
| Monoisotopic Mass | 361.15254 |
| SMILES | CCC(C)CC(C)C(=O)OC1(C)C(=O)C=C2C=C(C(=O)O)NC=C2C1=O |
| InChI | InChI=1S/C19H23NO6/c1-5-10(2)6-11(3)18(25)26-19(4)15(21)8-12-7-14(17(23)24)20-9-13(12)16(19)22/h7-11,20H,5-6H2,1-4H3,(H,23,24) |
| InChIKey | AUMZHLMRKNTBMN-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus niger ATCC 1015 (ncbitaxon:380704) | - | PubMed (22921072) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| azanigerone D (CHEBI:133855) has role Aspergillus metabolite (CHEBI:76956) |
| azanigerone D (CHEBI:133855) is a azaphilone (CHEBI:50941) |
| azanigerone D (CHEBI:133855) is a carboxylic ester (CHEBI:33308) |
| azanigerone D (CHEBI:133855) is a cyclic ketone (CHEBI:3992) |
| azanigerone D (CHEBI:133855) is a dioxo monocarboxylic acid (CHEBI:35951) |
| azanigerone D (CHEBI:133855) is a isoquinolines (CHEBI:24922) |
| azanigerone D (CHEBI:133855) is a polyketide (CHEBI:26188) |
| azanigerone D (CHEBI:133855) is a β-diketone (CHEBI:67265) |
| IUPAC Name |
|---|
| 7-[(2,4-dimethylhexanoyl)oxy]-7-methyl-6,8-dioxo-2,6,7,8-tetrahydroisoquinoline-3-carboxylic acid |
| Registry Numbers | Sources |
|---|---|
| Reaxys:22929036 | Reaxys |
| Citations |
|---|