EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H18O4 |
| Net Charge | 0 |
| Average Mass | 310.349 |
| Monoisotopic Mass | 310.12051 |
| SMILES | CC(C)=CCc1c(O)cc(-c2cc3ccc(O)cc3o2)cc1O |
| InChI | InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3 |
| InChIKey | ZTGHWUWBQNCCOH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Moracin C (CHEBI:174235) is a benzofurans (CHEBI:35259) |
| IUPAC Name |
|---|
| 5-(6-hydroxy-1-benzouran-2-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol |
| Manual Xrefs | Databases |
|---|---|
| HMDB0033310 | HMDB |
| 136764 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:69120-06-5 | ChemIDplus |