EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H26O6 |
| Net Charge | 0 |
| Average Mass | 350.411 |
| Monoisotopic Mass | 350.17294 |
| SMILES | CCCCO[C@H]1C=Cc2c(cc(O)c(OC)c2O)CC(=O)O[C@@H](C)C1 |
| InChI | InChI=1S/C19H26O6/c1-4-5-8-24-14-6-7-15-13(11-17(21)25-12(2)9-14)10-16(20)19(23-3)18(15)22/h6-7,10,12,14,20,22H,4-5,8-9,11H2,1-3H3/t12-,14-/m0/s1 |
| InChIKey | ODGHZFOGPPEMMC-JSGCOSHPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Corynespora cassiicola (ncbitaxon:59586) | - | DOI (10.1002/ejoc.201200245) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Xestodecalactone F (CHEBI:203140) is a oxacycle (CHEBI:38104) |
| IUPAC Name |
|---|
| (4S,6R)-6-butoxy-9,11-dihydroxy-10-methoxy-4-methyl-1,4,5,6-tetrahydro-3-benzoxecin-2-one |