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CHEBI:754418 - berubicin
| Formula | C34H35NO11 |
| Net Charge | 0 |
| Average Mass | 633.650 |
| Monoisotopic Mass | 633.22101 |
| SMILES | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](OCc2ccccc2)[C@H](C)O1 |
| InChI | InChI=1S/C34H35NO11/c1-16-33(44-15-17-7-4-3-5-8-17)20(35)11-24(45-16)46-22-13-34(42,23(37)14-36)12-19-26(22)32(41)28-27(30(19)39)29(38)18-9-6-10-21(43-2)25(18)31(28)40/h3-10,16,20,22,24,33,36,39,41-42H,11-15,35H2,1-2H3/t16-,20-,22-,24-,33+,34-/m0/s1 |
| InChIKey | FIGNGSHKNAHTSH-JJMFXPFOSA-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. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| berubicin (CHEBI:754418) has role antineoplastic agent (CHEBI:35610) |
| berubicin (CHEBI:754418) is a anthracycline (CHEBI:48120) |
| INNs | Source |
|---|---|
| berubicin | WHO MedNet |
| berubicina | WHO MedNet |
| berubicine | WHO MedNet |