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CHEBI:133815 - aurasperone C
| Formula | C31H28O12 |
| Net Charge | 0 |
| Average Mass | 592.553 |
| Monoisotopic Mass | 592.15808 |
| SMILES | COc1cc(OC)c2c(O)c3c(c(-c4c(O)cc5cc6c(c(O)c5c4OC)C(=O)CC(C)(O)O6)c2c1)OC(C)(O)CC3=O |
| InChI | InChI=1S/C31H28O12/c1-30(37)10-16(33)23-19(42-30)7-12-6-15(32)24(28(41-5)20(12)26(23)35)22-14-8-13(39-3)9-18(40-4)21(14)27(36)25-17(34)11-31(2,38)43-29(22)25/h6-9,32,35-38H,10-11H2,1-5H3 |
| InChIKey | BAIJEJFONPISHA-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus niger (ncbitaxon:5061) | |||
| - | DOI (10.1080/00021369.1966.10858561) | Strain: BL-5-1 | |
| - | DOI (10.1080/00021369.1972.10860562) | Strain: BL-5-1 | |
| Alternaria alternata (ncbitaxon:5599) | - | PubMed (22377027) |
| Roles Classification |
|---|
| Biological Roles: | marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| aurasperone C (CHEBI:133815) has role Aspergillus metabolite (CHEBI:76956) |
| aurasperone C (CHEBI:133815) has role marine metabolite (CHEBI:76507) |
| aurasperone C (CHEBI:133815) is a aromatic ether (CHEBI:35618) |
| aurasperone C (CHEBI:133815) is a aromatic ketone (CHEBI:76224) |
| aurasperone C (CHEBI:133815) is a biaryl (CHEBI:64459) |
| aurasperone C (CHEBI:133815) is a cyclic hemiketal (CHEBI:59780) |
| aurasperone C (CHEBI:133815) is a cyclic ketone (CHEBI:3992) |
| aurasperone C (CHEBI:133815) is a naphtho-γ-pyrone (CHEBI:64542) |
| aurasperone C (CHEBI:133815) is a polyphenol (CHEBI:26195) |
| IUPAC Name |
|---|
| 2,2',5,5',8-pentahydroxy-6,6',8'-trimethoxy-2,2'-dimethyl-2,2',3,3'-tetrahydro-4H,4'H-[7,10'-binaphtho[2,3-b]pyran]-4,4'-dione |
| Manual Xrefs | Databases |
|---|---|
| 156260 | ChemSpider |
| HMDB0030856 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1417072 | Reaxys |
| CAS:41689-66-1 | HMDB |
| CAS:41689-66-1 | ChemIDplus |
| Citations |
|---|