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CHEBI:217899 - 12-deoxyepiisororidin E
| Formula | C29H38O7 |
| Net Charge | 0 |
| Average Mass | 498.616 |
| Monoisotopic Mass | 498.26175 |
| SMILES | C=C1[C@H]2C[C@H]3OC(=O)/C=C\C=C\[C@@H]([C@@H](C)O)OCC/C(C)=C/C(=O)OC[C@@]4(CCC(C)=C[C@H]4O2)[C@]13C |
| InChI | InChI=1S/C29H38O7/c1-18-10-12-29-17-34-27(32)15-19(2)11-13-33-22(21(4)30)8-6-7-9-26(31)36-24-16-23(35-25(29)14-18)20(3)28(24,29)5/h6-9,14-15,21-25,30H,3,10-13,16-17H2,1-2,4-5H3/b8-6+,9-7-,19-15+/t21-,22+,23-,24-,25-,28-,29-/m1/s1 |
| InChIKey | QRZOAFBSHUOELI-XQPBFMIJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Calcarisporium (ncbitaxon:150368) | - | DOI (10.1016/j.tetlet.2018.03.089) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 12-deoxyepiisororidin E (CHEBI:217899) is a oxacycle (CHEBI:38104) |
| IUPAC Name |
|---|
| (1R,3R,8R,12E,17S,18E,20Z,24R,25S)-17-[(1R)-1-hydroxyethyl]-5,13,25-trimethyl-26-methylidene-2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-11,22-dione |