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CHEBI:199765 - Preubetaomerin B
| Formula | C20H16O7 |
| Net Charge | 0 |
| Average Mass | 368.341 |
| Monoisotopic Mass | 368.08960 |
| SMILES | Oc1ccc2c3c1[C@@H](O)[C@H]1O[C@H]1[C@]31Oc3cccc4c3[C@](CC[C@@H]4O)(O2)O1 |
| InChI | InChI=1S/C20H16O7/c21-9-6-7-19-14-8(9)2-1-3-11(14)26-20(27-19)15-12(25-19)5-4-10(22)13(15)16(23)17-18(20)24-17/h1-5,9,16-18,21-23H,6-7H2/t9-,16+,17+,18+,19+,20-/m0/s1 |
| InChIKey | LDAZRCIVNCIMFP-YIHIMSTHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Preussia (ncbitaxon:265084) | - | DOI (10.1021/jo00014a007) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Preubetaomerin B (CHEBI:199765) is a tetralins (CHEBI:36786) |
| IUPAC Name |
|---|
| (1S,2R,4R,5R,12R,15S)-3,11,21,22-tetraoxaheptacyclo[10.9.1.11,6.112,16.02,4.010,24.020,23]tetracosa-6,8,10(24),16(23),17,19-hexaene-5,7,15-triol |
| Manual Xrefs | Databases |
|---|---|
| 10196223 | ChemSpider |