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CHEBI:187852 - 5-Oxoavermectin ''2a'' aglycone
| Formula | C34H48O9 |
| Net Charge | 0 |
| Average Mass | 600.749 |
| Monoisotopic Mass | 600.32983 |
| 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@H](O)[C@H](C)[C@@H](C(C)CC)O1)C2 |
| InChI | InChI=1S/C34H48O9/c1-7-18(2)30-22(6)27(35)16-33(43-30)15-25-14-24(42-33)12-11-20(4)28(36)19(3)9-8-10-23-17-40-31-29(37)21(5)13-26(32(38)41-25)34(23,31)39/h8-11,13,18-19,22,24-28,30-31,35-36,39H,7,12,14-17H2,1-6H3/b9-8+,20-11+,23-10+/t18?,19-,22-,24+,25-,26-,27-,28-,30+,31+,33-,34+/m0/s1 |
| InChIKey | AWFYDDCOWUMYCB-ILCSDPHRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| Roles Classification |
|---|
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-Oxoavermectin ''2a'' aglycone (CHEBI:187852) is a milbemycin (CHEBI:50345) |
| IUPAC Name |
|---|
| (1R,4S,4'S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20S,24S)-6'-butan-2-yl-4',12,24-trihydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2,21-dione |