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CHEBI:3445 - Cascarillin
| Formula | C22H32O7 |
| Net Charge | 0 |
| Average Mass | 408.491 |
| Monoisotopic Mass | 408.21480 |
| SMILES | [H][C@]12CC[C@@H](O)[C@](C)(O)[C@]1(C)C[C@@H](OC(C)=O)[C@@H](C)[C@]2(C=O)C[C@@H](O)c1ccoc1 |
| InChI | InChI=1S/C22H32O7/c1-13-17(29-14(2)24)10-20(3)18(5-6-19(26)21(20,4)27)22(13,12-23)9-16(25)15-7-8-28-11-15/h7-8,11-13,16-19,25-27H,5-6,9-10H2,1-4H3/t13-,16-,17-,18+,19-,20-,21+,22-/m1/s1 |
| InChIKey | ZOWKQQIGQBVKSV-BZLLESMPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cascarillin (CHEBI:3445) is a diterpenoid (CHEBI:23849) |
| Synonym | Source |
|---|---|
| Cascarillin | KEGG COMPOUND |