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CHEBI:219314 - Napyradiomycin B4
| Formula | C25H31Cl3O6 |
| Net Charge | 0 |
| Average Mass | 533.876 |
| Monoisotopic Mass | 532.11862 |
| SMILES | CC1(C)O[C@@]2(C[C@H]3C(C)(C)[C@@H](Cl)CC[C@]3(C)O)C(=O)c3cc(O)cc(O)c3C(=O)[C@@]2(Cl)C[C@H]1Cl |
| InChI | InChI=1S/C25H31Cl3O6/c1-21(2)15(23(5,33)7-6-16(21)26)10-25-19(31)13-8-12(29)9-14(30)18(13)20(32)24(25,28)11-17(27)22(3,4)34-25/h8-9,15-17,29-30,33H,6-7,10-11H2,1-5H3/t15-,16-,17+,23-,24-,25-/m0/s1 |
| InChIKey | WIMMWIAJQXLZLL-VTQDYBALSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (3680038) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Napyradiomycin B4 (CHEBI:219314) is a organic heterotricyclic compound (CHEBI:26979) |
| Napyradiomycin B4 (CHEBI:219314) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (3R,4aR,10aS)-3,4a-dichloro-10a-[[(1S,3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-6,8-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione |
| Manual Xrefs | Databases |
|---|---|
| 169072 | ChemSpider |