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CHEBI:190261 - 6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone
| Formula | C34H48O7 |
| Net Charge | 0 |
| Average Mass | 568.751 |
| Monoisotopic Mass | 568.34000 |
| SMILES | [H][C@@]12C[C@@]([H])(C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)[C@]3(O)CC(=O)C(C)=C[C@@]3([H])C(=O)O1)O[C@@]1(C=C[C@H](C)[C@@H](C(C)CC)O1)C2 |
| InChI | InChI=1S/C34H48O7/c1-8-20(2)31-23(5)14-15-33(41-31)18-27-17-26(40-33)13-12-22(4)30(36)21(3)10-9-11-25(7)34(38)19-29(35)24(6)16-28(34)32(37)39-27/h9-12,14-16,20-21,23,26-28,30-31,36,38H,8,13,17-19H2,1-7H3/b10-9+,22-12+,25-11+/t20?,21-,23-,26+,27-,28-,30-,31+,33+,34+/m0/s1 |
| InChIKey | WMIUFIWIPJRLMD-AUPSCVIISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Synechococcus elongatus PCC 7942 (ncbitaxon:32046) | cell culture (BTO:0000214) | MetaboLights (MTBLS2825) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone (CHEBI:190261) is a macrolide (CHEBI:25106) |
| IUPAC Name |
|---|
| (1S,2'R,3'S,4R,9S,10E,12E,14S,15S,16E,19R,21S)-2'-butan-2-yl-9,15-dihydroxy-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]-3,7-dione |