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CHEBI:206307 - Atpenin A4
| Formula | C15H22ClNO5 |
| Net Charge | 0 |
| Average Mass | 331.796 |
| Monoisotopic Mass | 331.11865 |
| SMILES | COc1nc(=O)c(C(=O)[C@@H](C)C[C@H](C)[C@H](C)Cl)c(O)c1OC |
| InChI | InChI=1S/C15H22ClNO5/c1-7(9(3)16)6-8(2)11(18)10-12(19)13(21-4)15(22-5)17-14(10)20/h7-9H,6H2,1-5H3,(H2,17,19,20)/t7-,8-,9-/m0/s1 |
| InChIKey | LDPADGWFJFHTLH-CIUDSAMLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicilliumspecies (ncbitaxon:5081) | - | PubMed (2276974) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Atpenin A4 (CHEBI:206307) is a aromatic ketone (CHEBI:76224) |
| IUPAC Name |
|---|
| 3-[(2S,4S,5S)-5-chloro-2,4-dimethylhexanoyl]-2-hydroxy-5,6-dimethoxy-1H-pyridin-4-one |
| Manual Xrefs | Databases |
|---|---|
| 170827 | ChemSpider |