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CHEBI:29705 - Valnemulin
| Formula | C31H52N2O5S |
| Net Charge | 0 |
| Average Mass | 564.833 |
| Monoisotopic Mass | 564.35969 |
| SMILES | [H][C@@]12C(=O)CC[C@]13CCC(C)[C@@]2(C)[C@H](OC(=O)CSC(C)(C)CNC(=O)C(N)C(C)C)C[C@@](C)(C=C)[C@@H](O)[C@@H]3C |
| InChI | InChI=1S/C31H52N2O5S/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37)/t19?,20-,22+,24?,25-,26-,29+,30-,31-/m0/s1 |
| InChIKey | LLYYNOVSVPBRGV-NFQTWZMKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Valnemulin (CHEBI:29705) is a carbotricyclic compound (CHEBI:38032) |
| Valnemulin (CHEBI:29705) is a carboxylic ester (CHEBI:33308) |
| Valnemulin (CHEBI:29705) is a cyclic ketone (CHEBI:3992) |
| Synonym | Source |
|---|---|
| Valnemulin | KEGG COMPOUND |