EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H20O5 |
| Net Charge | 0 |
| Average Mass | 364.397 |
| Monoisotopic Mass | 364.13107 |
| SMILES | CC1(C)CCc2cc(CC3=C(c4ccc(O)cc4)C(=O)OC3=O)ccc2O1 |
| InChI | InChI=1S/C22H20O5/c1-22(2)10-9-15-11-13(3-8-18(15)27-22)12-17-19(21(25)26-20(17)24)14-4-6-16(23)7-5-14/h3-8,11,23H,9-10,12H2,1-2H3 |
| InChIKey | WTZJVQVTJIUAJG-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus (ncbitaxon:5052) | - | PubMed (22971827) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Aperterone C (CHEBI:206886) is a 1-benzopyran (CHEBI:38443) |
| IUPAC Name |
|---|
| 3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-4-(4-hydroxyphenyl)uran-2,5-dione |
| Manual Xrefs | Databases |
|---|---|
| 78435081 | ChemSpider |