EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H20O7 |
| Net Charge | 0 |
| Average Mass | 324.329 |
| Monoisotopic Mass | 324.12090 |
| SMILES | COc1cc(O)c2c(c1O)[C@H](O)[C@H]1C[C@](C)(O)[C@H](O)C[C@@H]1C2=O |
| InChI | InChI=1S/C16H20O7/c1-16(22)5-7-6(3-10(16)18)13(19)11-8(17)4-9(23-2)15(21)12(11)14(7)20/h4,6-7,10,14,17-18,20-22H,3,5H2,1-2H3/t6-,7-,10+,14+,16-/m0/s1 |
| InChIKey | LNMXRONIHUOFQM-HVRKRCABSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 9alpha-hydroxydihydrodesoxybostrycin (CHEBI:198262) is a anthracenes (CHEBI:46955) |
| IUPAC Name |
|---|
| (2R,3S,4aS,9aS,10R)-2,3,5,8,10-pentahydroxy-6-methoxy-3-methyl-1,2,4,4a,9a,10-hexahydroanthracen-9-one |
| Manual Xrefs | Databases |
|---|---|
| 25054966 | ChemSpider |