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CHEBI:211196 - Purpurogenic acid
| Formula | C13H16O7 |
| Net Charge | 0 |
| Average Mass | 284.264 |
| Monoisotopic Mass | 284.08960 |
| SMILES | O=C(O)/C=C/CCCC[C@@H]1OC(=O)C(CO)=C1C(=O)O |
| InChI | InChI=1S/C13H16O7/c14-7-8-11(12(17)18)9(20-13(8)19)5-3-1-2-4-6-10(15)16/h4,6,9,14H,1-3,5,7H2,(H,15,16)(H,17,18)/b6-4+/t9-/m0/s1 |
| InChIKey | CJXQXVURDFQJHV-DNQSNQRASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | PubMed (29397772) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Purpurogenic acid (CHEBI:211196) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| (2S)-2-[(E)-6-carboxyhex-5-enyl]-4-(hydroxymethyl)-5-oxo-2H-uran-3-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 71360656 | ChemSpider |