EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H12O6 |
| Net Charge | 0 |
| Average Mass | 312.277 |
| Monoisotopic Mass | 312.06339 |
| SMILES | COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)C1C=COC1O2 |
| InChI | InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3 |
| InChIKey | OQIQSTLJSLGHID-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-36909 (CHEBI:125421) is a coumarins (CHEBI:23403) |
| Manual Xrefs | Databases |
|---|---|
| HMDB0006552 | HMDB |
| LSM-36909 | LINCS |