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CHEBI:204899 - 17-O-demethylgeldanamycin hydroquinone
| Formula | C28H40N2O9 |
| Net Charge | 0 |
| Average Mass | 548.633 |
| Monoisotopic Mass | 548.27338 |
| SMILES | CO[C@H]1/C=C\C=C(/C)C(=O)Nc2cc(O)c(O)c(c2O)C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O |
| InChI | InChI=1S/C28H40N2O9/c1-14-10-18-24(33)19(13-20(31)25(18)34)30-27(35)15(2)8-7-9-21(37-5)26(39-28(29)36)17(4)12-16(3)23(32)22(11-14)38-6/h7-9,12-14,16,21-23,26,31-34H,10-11H2,1-6H3,(H2,29,36)(H,30,35)/b9-7-,15-8+,17-12+/t14-,16+,21+,22+,23-,26+/m1/s1 |
| InChIKey | SSTZKOMSVQUZSD-LVBRMASUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomycesspecies (ncbitaxon:1931) | - | PubMed (17442565) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 17-O-demethylgeldanamycin hydroquinone (CHEBI:204899) is a azamacrocycle (CHEBI:52898) |
| 17-O-demethylgeldanamycin hydroquinone (CHEBI:204899) is a keratan 6'-sulfate (CHEBI:18331) |
| IUPAC Name |
|---|
| [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13,19,20,22-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate |
| Manual Xrefs | Databases |
|---|---|
| 23304430 | ChemSpider |