EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H14N2O2.C4H7N3O |
| Net Charge | 0 |
| Average Mass | 319.365 |
| Monoisotopic Mass | 319.16444 |
| SMILES | CN1CC(=O)N=C1N.COc1cc(O)cc2c(CCN)cnc12 |
| InChI | InChI=1S/C11H14N2O2.C4H7N3O/c1-15-10-5-8(14)4-9-7(2-3-12)6-13-11(9)10;1-7-2-3(8)6-4(7)5/h4-6,13-14H,2-3,12H2,1H3;2H2,1H3,(H2,5,6,8) |
| InChIKey | BSHWDEUVZCKCOX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(2-aminoethyl)-7-methoxy-1H-indol-5-ol 2-amino-3-methyl-4H-imidazol-5-one (CHEBI:125691) has functional parent serotonin (CHEBI:28790) |
| 3-(2-aminoethyl)-7-methoxy-1H-indol-5-ol 2-amino-3-methyl-4H-imidazol-5-one (CHEBI:125691) is a tryptamines (CHEBI:27162) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37260 | LINCS |