EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C25H28O9 |
| Net Charge | 0 |
| Average Mass | 472.490 |
| Monoisotopic Mass | 472.17333 |
| SMILES | [H][C@]1(c2ccc3cc4c(c(O)c3c2O)C(=O)C[C@]2(O)C[C@@](C)(O)CC(=O)C42)C[C@@H](O)[C@H](O)[C@@H](C)O1 |
| InChI | InChI=1S/C25H28O9/c1-10-21(29)14(26)6-17(34-10)12-4-3-11-5-13-19(23(31)18(11)22(12)30)15(27)8-25(33)9-24(2,32)7-16(28)20(13)25/h3-5,10,14,17,20-21,26,29-33H,6-9H2,1-2H3/t10-,14-,17-,20?,21-,24+,25+/m1/s1 |
| InChIKey | BITLBWAPSKBLOM-UWPRAYNDSA-N |
| 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) |
| C1'-C9-Glycosylated UWM6 (CHEBI:81888) is a phenanthrenes (CHEBI:25961) |
| Manual Xrefs | Databases |
|---|---|
| C18681 | KEGG COMPOUND |