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CHEBI:9632 - Toonacilin
| Formula | C31H38O9 |
| Net Charge | 0 |
| Average Mass | 554.636 |
| Monoisotopic Mass | 554.25158 |
| SMILES | [H][C@@]1([C@@]2(C)C=CC(=O)C(C)(C)[C@@H]2CC(=O)OC)C(=C)[C@@]23O[C@@H]2C[C@@H](c2ccoc2)[C@]3(C)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
| InChI | InChI=1S/C31H38O9/c1-16-25(29(6)11-9-22(34)28(4,5)21(29)14-24(35)36-8)26(38-17(2)32)27(39-18(3)33)30(7)20(19-10-12-37-15-19)13-23-31(16,30)40-23/h9-12,15,20-21,23,25-27H,1,13-14H2,2-8H3/t20-,21-,23+,25+,26-,27-,29-,30+,31+/m0/s1 |
| InChIKey | RRBQYKQIAKFGIS-AMVRVENBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Toonacilin (CHEBI:9632) is a sesquiterpenoid (CHEBI:26658) |
| Synonym | Source |
|---|---|
| Toonacilin | KEGG COMPOUND |