EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H17NO3 |
| Net Charge | 0 |
| Average Mass | 259.305 |
| Monoisotopic Mass | 259.12084 |
| SMILES | O=c1oc2ccccc2c(O)c1CN1CCCCC1 |
| InChI | InChI=1S/C15H17NO3/c17-14-11-6-2-3-7-13(11)19-15(18)12(14)10-16-8-4-1-5-9-16/h2-3,6-7,17H,1,4-5,8-10H2 |
| InChIKey | ZZUCJGSOKDNIEZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-hydroxy-3-(1-piperidinylmethyl)-1-benzopyran-2-one (CHEBI:108117) is a hydroxycoumarin (CHEBI:37912) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19494 | LINCS |