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CHEBI:185950 - 5-Oxoavermectin ''1b'' aglycone
| Formula | C33H44O8 |
| Net Charge | 0 |
| Average Mass | 568.707 |
| Monoisotopic Mass | 568.30362 |
| SMILES | [H][C@@]12C[C@@]([H])(C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C3\CO[C@]4([H])C(=O)C(C)=C[C@@]([H])(C(=O)O1)[C@]34O)O[C@@]1(C=C[C@H](C)[C@@H](C(C)C)O1)C2 |
| InChI | InChI=1S/C33H44O8/c1-18(2)29-21(5)12-13-32(41-29)16-25-15-24(40-32)11-10-20(4)27(34)19(3)8-7-9-23-17-38-30-28(35)22(6)14-26(31(36)39-25)33(23,30)37/h7-10,12-14,18-19,21,24-27,29-30,34,37H,11,15-17H2,1-6H3/b8-7+,20-10+,23-9+/t19-,21-,24+,25-,26-,27-,29+,30+,32+,33+/m0/s1 |
| InChIKey | BEEFSSUBEICEFL-AWCHRDHNSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-Oxoavermectin ''1b'' aglycone (CHEBI:185950) is a macrolide (CHEBI:25106) |
| IUPAC Name |
|---|
| (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'S,24'S)-12',24'-dihydroxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2',21'-dione |