EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H20N2O7 |
| Net Charge | 0 |
| Average Mass | 304.299 |
| Monoisotopic Mass | 304.12705 |
| SMILES | OCC(O)C(O)Cc1cnc(C(O)C(O)C(O)CO)cn1 |
| InChI | InChI=1S/C12H20N2O7/c15-4-9(18)8(17)1-6-2-14-7(3-13-6)11(20)12(21)10(19)5-16/h2-3,8-12,15-21H,1,4-5H2 |
| InChIKey | FBDICDJCXVZLIP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Deoxyfructosazine (CHEBI:174920) is a pyrazines (CHEBI:38314) |
| IUPAC Name |
|---|
| 1-[5-(2,3,4-trihydroxybutyl)pyrazin-2-yl]butane-1,2,3,4-tetrol |
| Manual Xrefs | Databases |
|---|---|
| HMDB0038696 | HMDB |
| 284358 | ChemSpider |