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CHEBI:202502 - Agrocybolactone
| Formula | C15H20O4 |
| Net Charge | 0 |
| Average Mass | 264.321 |
| Monoisotopic Mass | 264.13616 |
| SMILES | CC1(C)CC[C@H](O)[C@@]23C(=O)O[C@H]4OCC(=CC[C@@H]12)[C@H]43 |
| InChI | InChI=1S/C15H20O4/c1-14(2)6-5-10(16)15-9(14)4-3-8-7-18-12(11(8)15)19-13(15)17/h3,9-12,16H,4-7H2,1-2H3/t9-,10-,11+,12+,15-/m0/s1 |
| InChIKey | FUNRAISQDFOMFQ-RSPOJEKHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Agrocybe (ncbitaxon:5399) | - | PubMed (12458772) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Agrocybolactone (CHEBI:202502) is a furofuran (CHEBI:47790) |
| IUPAC Name |
|---|
| (1R,2S,6S,12R,15S)-2-hydroxy-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-one |
| Manual Xrefs | Databases |
|---|---|
| 8530889 | ChemSpider |