EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H13NO.C4H6O5 |
| Net Charge | 0 |
| Average Mass | 321.329 |
| Monoisotopic Mass | 321.12124 |
| SMILES | Cc1ccc2ccccc2c1CON.O=C(O)CC(O)C(=O)O |
| InChI | InChI=1S/C12H13NO.C4H6O5/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-14-13;5-2(4(8)9)1-3(6)7/h2-7H,8,13H2,1H3;2,5H,1H2,(H,6,7)(H,8,9) |
| InChIKey | VZJYMJIBQDNNRI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| nafomine malate (CHEBI:751255) is a naphthalenes (CHEBI:25477) |
| Synonym | Source |
|---|---|
| Nafomine malate | ChEMBL |