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CHEBI:201010 - Deacetylphomoxanthone B
| Formula | C34H34O14 |
| Net Charge | 0 |
| Average Mass | 666.632 |
| Monoisotopic Mass | 666.19486 |
| SMILES | CC(=O)O[C@@H]1[C@H](C)CC(=O)C2=C(O)c3c(ccc(-c4ccc(O)c5c4O[C@@]4(CO)C(=C5O)C(=O)C[C@@H](C)[C@H]4OC(C)=O)c3O)O[C@@]21CO |
| InChI | InChI=1S/C34H34O14/c1-13-9-21(41)26-29(44)24-22(47-33(26,11-35)31(13)45-15(3)37)8-6-17(27(24)42)18-5-7-19(39)23-28(43)25-20(40)10-14(2)32(46-16(4)38)34(25,12-36)48-30(18)23/h5-8,13-14,31-32,35-36,39,42-44H,9-12H2,1-4H3/t13-,14-,31-,32-,33+,34+/m1/s1 |
| InChIKey | GCQYBAORLPFXIY-FNCICBJWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Phomopsis (ncbitaxon:34399) | - | PubMed (17950385) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Deacetylphomoxanthone B (CHEBI:201010) is a xanthenes (CHEBI:38835) |
| IUPAC Name |
|---|
| [(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetyloxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-8,9-dihydroxy-4a-(hydroxymethyl)-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 78436707 | ChemSpider |