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CHEBI:200836 - 4'-Deoleandrosyl-6,8a-seco-6,8a-deoxy avermectin A1a
| Formula | C42H64O10 |
| Net Charge | 0 |
| Average Mass | 728.964 |
| Monoisotopic Mass | 728.44995 |
| SMILES | CCC(C)C1OC2(C=CC1C)CC1CC(C/C=C(/C)C(OC3CC(OC)C(O)C(C)O3)C(C)/C=C\C=C(\C)C3(O)CC(OC)C(C)=CC3C(=O)O1)O2 |
| InChI | InChI=1S/C42H64O10/c1-11-24(2)39-27(5)17-18-41(52-39)22-32-20-31(51-41)16-15-26(4)38(50-36-21-34(46-9)37(43)30(8)48-36)25(3)13-12-14-29(7)42(45)23-35(47-10)28(6)19-33(42)40(44)49-32/h12-15,17-19,24-25,27,30-39,43,45H,11,16,20-23H2,1-10H3/b13-12-,26-15-,29-14- |
| InChIKey | CAJDUHQNQRQATN-RINIZTRGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces avermitilis (ncbitaxon:33903) | - | PubMed (7868398) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4'-Deoleandrosyl-6,8a-seco-6,8a-deoxy avermectin A1a (CHEBI:200836) is a macrolide (CHEBI:25106) |
| IUPAC Name |
|---|
| (10Z,12Z,16Z)-2'-butan-2-yl-9-hydroxy-15-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-7-methoxy-3',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,6'-2,3-dihydropyran]-3-one |
| Manual Xrefs | Databases |
|---|---|
| 78443963 | ChemSpider |