EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H22O3 |
| Net Charge | 0 |
| Average Mass | 298.382 |
| Monoisotopic Mass | 298.15689 |
| SMILES | Cc1ccc2c3c(c(O)c4c2c1[C@@H](O)CO4)C(C)(C)CCC3 |
| InChI | InChI=1S/C19H22O3/c1-10-6-7-11-12-5-4-8-19(2,3)16(12)17(21)18-15(11)14(10)13(20)9-22-18/h6-7,13,20-21H,4-5,8-9H2,1-3H3/t13-/m0/s1 |
| InChIKey | WBARWKOEKWQJTK-ZDUSSCGKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillusspecies (ncbitaxon:5065) | - | PubMed (23457022) |
| Roles Classification |
|---|
| Biological Role: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Aspergiloid F (CHEBI:212499) is a phenanthrol (CHEBI:25962) |
| IUPAC Name |
|---|
| 6,6,14-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17),13,15-pentaene-8,12-diol |
| Manual Xrefs | Databases |
|---|---|
| 78435112 | ChemSpider |