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CHEBI:225876 - Emeridone B
| Formula | C27H34O6 |
| Net Charge | 0 |
| Average Mass | 454.563 |
| Monoisotopic Mass | 454.23554 |
| SMILES | CCOC(=O)C1=C[C@]2(C)C[C@@]34CC[C@H]5C(C)(C)C(=O)C=C[C@]5(C)[C@]35OC[C@]14[C@](C)(CC2=O)O5 |
| InChI | InChI=1S/C27H34O6/c1-7-31-20(30)16-12-22(4)14-25-11-8-17-21(2,3)18(28)9-10-23(17,5)27(25)32-15-26(16,25)24(6,33-27)13-19(22)29/h9-10,12,17H,7-8,11,13-15H2,1-6H3/t17-,22+,23-,24-,25+,26+,27+/m0/s1 |
| InChIKey | WZXLBHHJLSHJCF-WFECAKBMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus (ncbitaxon:5052) | - | PubMed (30608689) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Emeridone B (CHEBI:225876) is a naphthofuran (CHEBI:39270) |
| IUPAC Name |
|---|
| ethyl (1R,2R,5S,10S,11R,13S,16S)-6,6,10,13,16-pentamethyl-7,15-dioxo-12,20-dioxahexacyclo[9.7.2.12,16.01,13.02,11.05,10]henicosa-8,17-diene-18-carboxylate |