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CHEBI:221923 - Thioangucycline E
| Formula | C40H30O9S |
| Net Charge | 0 |
| Average Mass | 686.738 |
| Monoisotopic Mass | 686.16105 |
| SMILES | COc1cccc2c1C(=O)c1c(Sc3cc4c(c5c3[C@H](O)c3c(OC)cccc3C5=O)C(=O)C[C@](C)(O)C4)cc3cc(C)cc(O)c3c1C2=O |
| InChI | InChI=1S/C40H30O9S/c1-17-11-18-13-26(32-34(28(18)22(41)12-17)36(43)20-7-5-9-24(48-3)30(20)38(32)45)50-27-14-19-15-40(2,47)16-23(42)29(19)35-33(27)39(46)31-21(37(35)44)8-6-10-25(31)49-4/h5-14,39,41,46-47H,15-16H2,1-4H3/t39-,40-/m1/s1 |
| InChIKey | PKILHMTVDCONRN-XRSDMRJBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomycesspecies CB00072 (ncbitaxon:1703928) | - | PubMed (33465268) |
| Roles Classification |
|---|
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Thioangucycline E (CHEBI:221923) is a angucycline (CHEBI:48130) |