EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H17O6 |
| Net Charge | -1 |
| Average Mass | 341.339 |
| Monoisotopic Mass | 341.10306 |
| SMILES | C=CC(C)(C)C1C(=O)c2c(C)cc([O-])c3c(O)c(O)c(O)c(c23)C1=O |
| InChI | InChI=1S/C19H18O6/c1-5-19(3,4)13-14(21)9-7(2)6-8(20)10-11(9)12(15(13)22)17(24)18(25)16(10)23/h5-6,13,20,23-25H,1H2,2-4H3/p-1 |
| InChIKey | CNWJDTSLEPGIJW-UHFFFAOYSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7,8,9-trihydroxy-4-methyl-2-(2-methylbut-3-en-2-yl)-1,3-dioxo-2,3-dihydro-1H-phenalen-6-olate (CHEBI:145871) is a organic anion (CHEBI:25696) |
| Citations |
|---|