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CHEBI:220232 - 27-methoxylmilbemycin alpha31
| Formula | C33H44O7 |
| Net Charge | 0 |
| Average Mass | 552.708 |
| Monoisotopic Mass | 552.30870 |
| 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=C3c4c(cc(C)c(O)c4OC3OC)C(=O)O1)O2 |
| InChI | InChI=1S/C33H44O7/c1-7-27-21(4)13-14-33(40-27)18-24-17-23(39-33)12-11-20(3)15-19(2)9-8-10-25-28-26(31(35)37-24)16-22(5)29(34)30(28)38-32(25)36-6/h8-11,16,19,21,23-24,27,32,34H,7,12-15,17-18H2,1-6H3/b9-8+,20-11+,25-10?/t19-,21-,23+,24-,27+,32?,33+/m0/s1 |
| InChIKey | JWOMEKXEWNUTBW-MUTVBVKVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (27748635) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 27-methoxylmilbemycin alpha31 (CHEBI:220232) is a macrolide (CHEBI:25106) |
| IUPAC Name |
|---|
| (4S,5'S,6R,6'R,8R,10E,13R,14E)-6'-ethyl-21-hydroxy-18-methoxy-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 |