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CHEBI:204886 - Milbemycin alpha31
| Formula | C32H42O6 |
| Net Charge | 0 |
| Average Mass | 522.682 |
| Monoisotopic Mass | 522.29814 |
| SMILES | CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C3\COc4c(O)c(C)cc(c43)C(=O)O1)O2 |
| InChI | InChI=1S/C32H42O6/c1-6-27-21(4)12-13-32(38-27)17-25-16-24(37-32)11-10-20(3)14-19(2)8-7-9-23-18-35-30-28(23)26(31(34)36-25)15-22(5)29(30)33/h7-10,15,19,21,24-25,27,33H,6,11-14,16-18H2,1-5H3/b8-7-,20-10-,23-9-/t19-,21-,24+,25-,27+,32+/m0/s1 |
| InChIKey | ZYUWEJDCQXCSMF-SSKSLTGKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces bingchenggensis (ncbitaxon:379067) | - | PubMed (20183296) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Milbemycin alpha31 (CHEBI:204886) is a macrolide (CHEBI:25106) |
| IUPAC Name |
|---|
| (4S,5'S,6R,6'R,8R,10Z,13R,14Z,16E)-6'-ethyl-21-hydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-1(24),10,14,16,20,22-hexaene-6,2'-oxane]-2-one |
| Manual Xrefs | Databases |
|---|---|
| 78437213 | ChemSpider |