EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H17Cl3O6 |
| Net Charge | 0 |
| Average Mass | 447.698 |
| Monoisotopic Mass | 446.00907 |
| SMILES | CCCc1cc(O)c(Cl)c(O)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC |
| InChI | InChI=1S/C19H17Cl3O6/c1-3-5-7-6-8(23)12(20)16(25)17(7)28-18-11-10(9(4-2)27-19(11)26)13(21)15(24)14(18)22/h6,9,23-25H,3-5H2,1-2H3/t9-/m1/s1 |
| InChIKey | XPXJYOYYNGMYQA-SECBINFHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Spiromastixspecies (ncbitaxon:2044277) | - | PubMed (26686929) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Spiromastilactone G (CHEBI:228023) is a aromatic ether (CHEBI:35618) |
| IUPAC Name |
|---|
| (3R)-4,6-dichloro-7-(3-chloro-2,4-dihydroxy-6-propylphenoxy)-3-ethyl-5-hydroxy-3H-2-benzouran-1-one |
| Manual Xrefs | Databases |
|---|---|
| 58197285 | ChemSpider |