EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H17NO5 |
| Net Charge | 0 |
| Average Mass | 303.314 |
| Monoisotopic Mass | 303.11067 |
| SMILES | CC1=NC2(O)c3ccccc3C(=O)C2(O)C1C(=O)OC(C)C |
| InChI | InChI=1S/C16H17NO5/c1-8(2)22-14(19)12-9(3)17-16(21)11-7-5-4-6-10(11)13(18)15(12,16)20/h4-8,12,20-21H,1-3H3 |
| InChIKey | BXMMJKHIFASTSL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-19904 (CHEBI:108529) is a indanones (CHEBI:24789) |
| LSM-19904 (CHEBI:108529) is a isopropyl ester (CHEBI:35725) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19904 | LINCS |