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CHEBI:133852 - azanigerone A
| Formula | C19H22O7 |
| Net Charge | 0 |
| Average Mass | 362.378 |
| Monoisotopic Mass | 362.13655 |
| SMILES | CCC(C)CC(C)C(=O)OC1(C)C(=O)C=C2C=C(C(=O)O)OC=C2C1=O |
| InChI | InChI=1S/C19H22O7/c1-5-10(2)6-11(3)18(24)26-19(4)15(20)8-12-7-14(17(22)23)25-9-13(12)16(19)21/h7-11H,5-6H2,1-4H3,(H,22,23) |
| InChIKey | GIDMWMOVOCXADR-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus niger ATCC 1015 (ncbitaxon:380704) | - | PubMed (22921072) | |
| Chaetomium globosum (ncbitaxon:38033) | - | PubMed (23072467) |
| 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 A (CHEBI:133852) has role Aspergillus metabolite (CHEBI:76956) |
| azanigerone A (CHEBI:133852) is a 2-benzopyran (CHEBI:38444) |
| azanigerone A (CHEBI:133852) is a azaphilone (CHEBI:50941) |
| azanigerone A (CHEBI:133852) is a carboxylic ester (CHEBI:33308) |
| azanigerone A (CHEBI:133852) is a cyclic ketone (CHEBI:3992) |
| azanigerone A (CHEBI:133852) is a dioxo monocarboxylic acid (CHEBI:35951) |
| azanigerone A (CHEBI:133852) is a polyketide (CHEBI:26188) |
| azanigerone A (CHEBI:133852) is a β-diketone (CHEBI:67265) |
| IUPAC Name |
|---|
| 7-[(2,4-dimethylhexanoyl)oxy]-7-methyl-6,8-dioxo-7,8-dihydro-6H-2-benzopyran-3-carboxylic acid |
| Registry Numbers | Sources |
|---|---|
| Reaxys:22929033 | Reaxys |
| Citations |
|---|