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CHEBI:218604 - Phomoxanthone E
| Formula | C34H34O14 |
| Net Charge | 0 |
| Average Mass | 666.632 |
| Monoisotopic Mass | 666.19486 |
| SMILES | CC(=O)OC[C@@]12Oc3ccc(-c4ccc5c(c4O)C(O)=C4C(=O)C[C@H](C)[C@H](OC(C)=O)[C@]4(CO)O5)c(O)c3C(O)=C1C(=O)C[C@H](C)[C@@H]2O |
| InChI | InChI=1S/C34H34O14/c1-13-9-19(38)26-30(43)24-22(48-34(26,31(13)44)12-45-15(3)36)8-6-18(28(24)41)17-5-7-21-23(27(17)40)29(42)25-20(39)10-14(2)32(46-16(4)37)33(25,11-35)47-21/h5-8,13-14,31-32,35,40-44H,9-12H2,1-4H3/t13-,14-,31-,32-,33+,34+/m0/s1 |
| InChIKey | CTKPNHQDMNIYHE-XSZNFCBXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Phomopsisspecies xy21 (ncbitaxon:2019965) | - | PubMed (28581824) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Phomoxanthone E (CHEBI:218604) is a xanthenes (CHEBI:38835) |
| IUPAC Name |
|---|
| [(3S,4S,4aS)-7-[(5S,6S,10aS)-5-acetyloxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl acetate |
| Manual Xrefs | Databases |
|---|---|
| 78439436 | ChemSpider |