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CHEBI:213573 - Pseurotin A3
| Formula | C22H25NO8 |
| Net Charge | 0 |
| Average Mass | 431.441 |
| Monoisotopic Mass | 431.15802 |
| SMILES | CC/C=C\[C@@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O |
| InChI | InChI=1S/C22H25NO8/c1-4-5-11-14(24)15(25)16-12(2)17(26)21(31-16)19(28)22(30-3,23-20(21)29)18(27)13-9-7-6-8-10-13/h5-11,14-15,19,24-25,28H,4H2,1-3H3,(H,23,29)/b11-5-/t14-,15+,19-,21-,22-/m1/s1 |
| InChIKey | SLYDIPAXCVVRNY-HLWOSVFQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus terreus (ncbitaxon:33178) | - | DOI (10.1016/j.tet.2016.09.053) | |
| Phomaspecies NTOU4195 (ncbitaxon:1889261) | - | PubMed (27976895) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pseurotin A3 (CHEBI:213573) is a aromatic ketone (CHEBI:76224) |
| IUPAC Names |
|---|
| (5S,8S,9R)-8-benzoyl-2-[(Z,1S,2R)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione |
| (5S,8R,9R)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione |