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CHEBI:210448 - Paralactonic acid A
| Formula | C14H18O4 |
| Net Charge | 0 |
| Average Mass | 250.294 |
| Monoisotopic Mass | 250.12051 |
| SMILES | C/C=C/C=C/[C@@H]1OC(=O)C(CCC(=O)O)=C[C@@H]1C |
| InChI | InChI=1S/C14H18O4/c1-3-4-5-6-12-10(2)9-11(14(17)18-12)7-8-13(15)16/h3-6,9-10,12H,7-8H2,1-2H3,(H,15,16)/b4-3+,6-5+/t10-,12-/m0/s1 |
| InChIKey | HOICLNORVYVWEJ-VEAKIABCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Paraconiothyrium (ncbitaxon:300251) | - | PubMed (30496810) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Paralactonic acid A (CHEBI:210448) is a pyranone (CHEBI:37963) |
| IUPAC Name |
|---|
| 3-[(2S,3S)-3-methyl-6-oxo-2-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydropyran-5-yl]propanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 71116004 | ChemSpider |