EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H18N4O3 |
| Net Charge | 0 |
| Average Mass | 326.356 |
| Monoisotopic Mass | 326.13789 |
| SMILES | Cc1c(OCc2nnnn2)ccc2c3c(c(=O)oc12)CCC(C)C3 |
| InChI | InChI=1S/C17H18N4O3/c1-9-3-4-12-13(7-9)11-5-6-14(10(2)16(11)24-17(12)22)23-8-15-18-20-21-19-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,19,20,21) |
| InChIKey | XZYPMPKDHQMQGP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4,9-dimethyl-3-(2H-tetrazol-5-ylmethoxy)-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one (CHEBI:115091) is a coumarins (CHEBI:23403) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26552 | LINCS |