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CHEBI:9214 - Specionin
| Formula | C20H26O8 |
| Net Charge | 0 |
| Average Mass | 394.420 |
| Monoisotopic Mass | 394.16277 |
| SMILES | [H][C@]12[C@@H](OCC)O[C@H](OCC)C[C@@]1([H])[C@H](OC(=O)c1ccc(O)cc1)[C@]1([H])O[C@]21CO |
| InChI | InChI=1S/C20H26O8/c1-3-24-14-9-13-15(19(26-14)25-4-2)20(10-21)17(28-20)16(13)27-18(23)11-5-7-12(22)8-6-11/h5-8,13-17,19,21-22H,3-4,9-10H2,1-2H3/t13-,14+,15-,16+,17+,19+,20-/m1/s1 |
| InChIKey | MQCIJEYGQHWJFX-VZNPGGIZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Specionin (CHEBI:9214) is a benzoate ester (CHEBI:36054) |
| Synonym | Source |
|---|---|
| Specionin | KEGG COMPOUND |