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CHEBI:197928 - Paneolic acid
| Formula | C15H20O4 |
| Net Charge | 0 |
| Average Mass | 264.321 |
| Monoisotopic Mass | 264.13616 |
| SMILES | CC(=O)[C@@]1(C)C[C@@H]2C[C@](C)(C(=O)O)CC2=C(C)C1=O |
| InChI | InChI=1S/C15H20O4/c1-8-11-7-14(3,13(18)19)5-10(11)6-15(4,9(2)16)12(8)17/h10H,5-7H2,1-4H3,(H,18,19)/t10-,14-,15+/m0/s1 |
| InChIKey | VFTMSVNDYVXTOG-NZVBXONLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Panaeolus retirugis (ncbitaxon:582799) | - | PubMed (15712666) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Paneolic acid (CHEBI:197928) is a cyclohexenones (CHEBI:48953) |
| IUPAC Name |
|---|
| (2S,3aR,5R)-5-acetyl-2,5,7-trimethyl-6-oxo-1,3,3a,4-tetrahydroindene-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 9405891 | ChemSpider |