EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H18O5 |
| Net Charge | 0 |
| Average Mass | 314.337 |
| Monoisotopic Mass | 314.11542 |
| SMILES | C=CC(C)(C)c1cc2c(OC)c3ccoc3c(OC)c2oc1=O |
| InChI | InChI=1S/C18H18O5/c1-6-18(2,3)12-9-11-13(20-4)10-7-8-22-14(10)16(21-5)15(11)23-17(12)19/h6-9H,1H2,2-5H3 |
| InChIKey | KHRPPPVMZUBIOV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5,8-Dimethoxychalepensin (CHEBI:175031) is a psoralens (CHEBI:26369) |
| IUPAC Name |
|---|
| 4,9-dimethoxy-6-(2-methylbut-3-en-2-yl)uro[3,2-g]chromen-7-one |
| Manual Xrefs | Databases |
|---|---|
| HMDB0037086 | HMDB |
| 30777177 | ChemSpider |