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CHEBI:133756 - aurasperone B
| Formula | C32H30O12 |
| Net Charge | 0 |
| Average Mass | 606.580 |
| Monoisotopic Mass | 606.17373 |
| SMILES | COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5cc6c(c(O)c5c4OC)C(=O)CC(C)(O)O6)c2c1)OC(C)(O)CC3=O |
| InChI | InChI=1S/C32H30O12/c1-31(37)11-16(33)24-20(43-31)8-13-7-18(40-4)26(29(42-6)21(13)27(24)35)23-15-9-14(39-3)10-19(41-5)22(15)28(36)25-17(34)12-32(2,38)44-30(23)25/h7-10,35-38H,11-12H2,1-6H3 |
| InChIKey | VIFQAHKDYKZMMS-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus niger ATCC 1015 (ncbitaxon:380704) | - | PubMed (21176790) | |
| Alternaria alternata (ncbitaxon:5599) | - | PubMed (22377027) | |
| Aspergillus vadensis (ncbitaxon:288669) | - | PubMed (15803385) | |
| Aspergillus neoniger (ncbitaxon:1196635) | - | PubMed (21892239) | |
| Aspergillus eucalypticola (ncbitaxon:1340029) | - | PubMed (21892239) |
| 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 B (CHEBI:133756) has role Aspergillus metabolite (CHEBI:76956) |
| aurasperone B (CHEBI:133756) has role marine metabolite (CHEBI:76507) |
| aurasperone B (CHEBI:133756) is a aromatic ether (CHEBI:35618) |
| aurasperone B (CHEBI:133756) is a aromatic ketone (CHEBI:76224) |
| aurasperone B (CHEBI:133756) is a biaryl (CHEBI:64459) |
| aurasperone B (CHEBI:133756) is a cyclic hemiketal (CHEBI:59780) |
| aurasperone B (CHEBI:133756) is a cyclic ketone (CHEBI:3992) |
| aurasperone B (CHEBI:133756) is a naphtho-γ-pyrone (CHEBI:64542) |
| aurasperone B (CHEBI:133756) is a polyphenol (CHEBI:26195) |
| IUPAC Name |
|---|
| 2,2',5,5'-tetrahydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-2,2',3,3'-tetrahydro-4H,4'H-[7,10'-binaphtho[2,3-b]pyran]-4,4'-dione |
| UniProt Name | Source |
|---|---|
| aurasperone B | UniProt |
| Manual Xrefs | Databases |
|---|---|
| 179522 | PubChem Compound |
| HMDB0030857 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2612093 | Reaxys |
| CAS:41689-67-2 | ChemIDplus |
| Citations |
|---|