EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H30O13 |
| Net Charge | 0 |
| Average Mass | 574.535 |
| Monoisotopic Mass | 574.16864 |
| SMILES | COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1OC)[C@H](OC)[C@](C)(O)C3=O |
| InChI | InChI=1S/C28H30O13/c1-9-18(30)22(34)24(38-4)27(40-9)41-23-17-13(25(35)28(2,36)26(23)39-5)8-12-16(21(17)33)20(32)15-11(19(12)31)6-10(37-3)7-14(15)29/h6-9,18,22-24,26-27,29-30,33-34,36H,1-5H3/t9-,18-,22+,23+,24+,26-,27-,28+/m0/s1 |
| InChIKey | HWMJTJZEJBSVCG-GPDBLRFJSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| steffimycin (CHEBI:751483) is a anthracycline (CHEBI:48120) |
| INNs | Source |
|---|---|
| estefimicina | WHO MedNet |
| steffimycin | WHO MedNet |
| steffimycine | WHO MedNet |
| Synonyms | Source |
|---|---|
| NSC-93419 | ChEMBL |
| U-20,661 | ChEMBL |
| U-20661 | ChEMBL |