EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H10O5 |
| Net Charge | 0 |
| Average Mass | 198.174 |
| Monoisotopic Mass | 198.05282 |
| SMILES | Cc1c(O)c(O)c(O)c2c1CO[C@@H]2O |
| InChI | InChI=1S/C9H10O5/c1-3-4-2-14-9(13)5(4)7(11)8(12)6(3)10/h9-13H,2H2,1H3/t9-/m0/s1 |
| InChIKey | GSKYCPXSDLXGEW-VIFPVBQESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus (ncbitaxon:5052) | - | PubMed (11372786) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| FR198248 (CHEBI:202573) is a 2-benzofurans (CHEBI:38831) |
| IUPAC Name |
|---|
| 4-methyl-1,3-dihydro-2-benzouran-1,5,6,7-tetrol |
| Manual Xrefs | Databases |
|---|---|
| 7991315 | ChemSpider |