EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H17ClO5 |
| Net Charge | 0 |
| Average Mass | 324.760 |
| Monoisotopic Mass | 324.07645 |
| SMILES | C[C@H]1OC(=O)c2c(O)cc(O)c(Cl)c2/C=C/CC/C=C/[C@@H]1O |
| InChI | InChI=1S/C16H17ClO5/c1-9-11(18)7-5-3-2-4-6-10-14(16(21)22-9)12(19)8-13(20)15(10)17/h4-9,11,18-20H,2-3H2,1H3/b6-4+,7-5+/t9-,11+/m1/s1 |
| InChIKey | KQXVIOVDPLNPLZ-MJUWSYLBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ilyonectria (ncbitaxon:1079112) | - | PubMed (32323537) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ilyoresorcy K (CHEBI:226415) is a macrolide (CHEBI:25106) |
| IUPAC Name |
|---|
| (4R,5S,6E,10E)-13-chloro-5,14,16-trihydroxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),6,10,13,15-pentaen-2-one |