EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H13NO2 |
| Net Charge | 0 |
| Average Mass | 155.197 |
| Monoisotopic Mass | 155.09463 |
| SMILES | CN1C2CC3C[C@H]1C(O3)C2O |
| InChI | InChI=1S/C8H13NO2/c1-9-5-2-4-3-6(9)8(11-4)7(5)10/h4-8,10H,2-3H2,1H3/t4?,5?,6-,7?,8?/m0/s1 |
| InChIKey | MEGPURSNXMUDAE-LTHVNZCTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-1903 (CHEBI:91957) is a gitoxigenin (CHEBI:38105) |
| LSM-1903 (CHEBI:91957) is a organonitrogen heterocyclic compound (CHEBI:38101) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1903 | LINCS |