EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H20O4 |
| Net Charge | 0 |
| Average Mass | 336.387 |
| Monoisotopic Mass | 336.13616 |
| SMILES | C=C(C)/C=C/c1c(OC)cc(O)c2c1O[C@H](c1ccccc1)CC2=O |
| InChI | InChI=1S/C21H20O4/c1-13(2)9-10-15-19(24-3)12-17(23)20-16(22)11-18(25-21(15)20)14-7-5-4-6-8-14/h4-10,12,18,23H,1,11H2,2-3H3/b10-9+/t18-/m0/s1 |
| InChIKey | HIVLZZCXKATCJB-BBVFFXRHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tephroleocarpin B (CHEBI:180258) is a ether (CHEBI:25698) |
| Tephroleocarpin B (CHEBI:180258) is a flavonoids (CHEBI:72544) |
| IUPAC Name |
|---|
| (2S)-5-hydroxy-7-methoxy-8-[(1E)-3-methylbuta-1,3-dienyl]-2-phenyl-2,3-dihydrochromen-4-one |
| Manual Xrefs | Databases |
|---|---|
| LMPK12140183 | LIPID MAPS |
| 24846322 | ChemSpider |