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CHEBI:208433 - Lyngbyabellin O
| Formula | C24H32Cl2N2O9S2 |
| Net Charge | 0 |
| Average Mass | 627.565 |
| Monoisotopic Mass | 626.09263 |
| SMILES | COC(=O)c1csc([C@@H](OC(=O)[C@@H](C)[C@H](CCCC(C)(Cl)Cl)OC(=O)c2csc([C@H](O)CO)n2)C(C)(C)O)n1 |
| InChI | InChI=1S/C24H32Cl2N2O9S2/c1-12(20(31)37-17(23(2,3)34)19-28-13(10-39-19)21(32)35-5)16(7-6-8-24(4,25)26)36-22(33)14-11-38-18(27-14)15(30)9-29/h10-12,15-17,29-30,34H,6-9H2,1-5H3/t12-,15+,16-,17+/m0/s1 |
| InChIKey | FQAXEPWBFFKCAO-NKKGCODLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Okeania (ncbitaxon:1458928) | - | PubMed (29019684) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Lyngbyabellin O (CHEBI:208433) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| [(2S,3S)-7,7-dichloro-1-[(1S)-2-hydroxy-1-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2-methylpropoxy]-2-methyl-1-oxooctan-3-yl] 2-[(1R)-1,2-dihydroxyethyl]-1,3-thiazole-4-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 62453217 | ChemSpider |