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CHEBI:226646 - 17-bromo-4-hydroperoxyoscillatoxin B2
| Formula | C32H45BrO11 |
| Net Charge | 0 |
| Average Mass | 685.605 |
| Monoisotopic Mass | 684.21452 |
| SMILES | CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)/C=C(/O2)[C@@](C)(OO)CC3(C)C)[C@@H]1C)c1cc(O)ccc1Br |
| InChI | InChI=1S/C32H45BrO11/c1-17(8-11-23(39-7)21-12-20(35)9-10-22(21)33)29-18(2)25-15-32(43-29)30(4,5)16-31(6,44-38)26(42-32)14-28(37)40-24(19(3)34)13-27(36)41-25/h9-10,12,14,17-19,23-25,29,34-35,38H,8,11,13,15-16H2,1-7H3/b26-14+/t17-,18-,19+,23-,24+,25-,29+,31-,32+/m0/s1 |
| InChIKey | IXKNJBBLNNUXPK-MLNBSDNUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Moorena producens (ncbitaxon:1155739) | - | DOI (10.1016/j.tet.2019.03.020) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 17-bromo-4-hydroperoxyoscillatoxin B2 (CHEBI:226646) is a macrolide (CHEBI:25106) |
| IUPAC Name |
|---|
| (1S,3R,4S,5S,9R,12Z,14S)-3-[(2S,5S)-5-(2-bromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-14-hydroperoxy-9-[(1R)-1-hydroxyethyl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadec-12-ene-7,11-dione |
| Manual Xrefs | Databases |
|---|---|
| 73930325 | ChemSpider |