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CHEBI:198589 - Scabronine E
| Formula | C22H28O5 |
| Net Charge | 0 |
| Average Mass | 372.461 |
| Monoisotopic Mass | 372.19367 |
| SMILES | CC(=O)O[C@H]1CC(C=O)=CC=C2C3=C(C(C)C)CC[C@]3(C(=O)O)CC[C@]21C |
| InChI | InChI=1S/C22H28O5/c1-13(2)16-7-8-22(20(25)26)10-9-21(4)17(19(16)22)6-5-15(12-23)11-18(21)27-14(3)24/h5-6,12-13,18H,7-11H2,1-4H3,(H,25,26)/t18-,21+,22-/m0/s1 |
| InChIKey | HOSRLRWNDVYKNJ-BWAGFHJFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sarcodon scabrosus (ncbitaxon:178525) | - | DOI (10.1016/s0040-4020(98)83045-7) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Scabronine E (CHEBI:198589) is a diterpenoid (CHEBI:23849) |
| IUPAC Name |
|---|
| (3aS,5aR,6S)-6-acetyloxy-8-ormyl-5a-methyl-1-propan-2-yl-2,3,4,5,6,7-hexahydrocyclohepta[g]indene-3a-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 8627339 | ChemSpider |