EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H15NO7 |
| Net Charge | 0 |
| Average Mass | 309.274 |
| Monoisotopic Mass | 309.08485 |
| SMILES | O=C(O)[C@H]1O[C@@H](Oc2cnc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1 |
| InChIKey | KUYNOZVWCFXSNE-BYNIDDHOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| inodxyl glucuronide (CHEBI:145223) is a glucosiduronic acid (CHEBI:24302) |
| Manual Xrefs | Databases |
|---|---|
| HMDB0010319 | HMDB |