EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H18O5 |
| Net Charge | 0 |
| Average Mass | 326.348 |
| Monoisotopic Mass | 326.11542 |
| SMILES | CC12C3=C(OCC3C(O)CC1O)C(=O)c1c2ccc2c1CCC2=O |
| InChI | InChI=1S/C19H18O5/c1-19-11-4-2-8-9(3-5-12(8)20)15(11)17(23)18-16(19)10(7-24-18)13(21)6-14(19)22/h2,4,10,13-14,21-22H,3,5-7H2,1H3 |
| InChIKey | CUQSFQNIHNMRQT-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hypoxylon hinnuleum (ncbitaxon:455034) | - | DOI (10.1016/S0031-9422(00)98644-8) |
| 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) |
| Desmethoxyviridiol (CHEBI:222565) is a phenanthrenes (CHEBI:25961) |
| IUPAC Name |
|---|
| 16,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19)-tetraene-6,11-dione |