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CHEBI:4701 - Doronine
| Formula | C21H30ClNO8 |
| Net Charge | 0 |
| Average Mass | 459.923 |
| Monoisotopic Mass | 459.16599 |
| SMILES | CC(=O)O[C@@]1(C)C(=O)OC/C2=C/CN(C)CC[C@@H](OC(=O)[C@@](O)([C@@H](C)Cl)C[C@H]1C)C2=O |
| InChI | InChI=1S/C21H30ClNO8/c1-12-10-21(28,13(2)22)19(27)30-16-7-9-23(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,28H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20-,21+/m1/s1 |
| InChIKey | VGRSISYREBBIAL-XAHVSKGQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Doronine (CHEBI:4701) is a carboxylic ester (CHEBI:33308) |
| Doronine (CHEBI:4701) is a ketone (CHEBI:17087) |
| Synonyms | Source |
|---|---|
| 4,8-Secosenecionan-8,11,16-trione, 15,20-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl- | KEGG COMPOUND |
| Doronine | KEGG COMPOUND |