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CHEBI:182619 - 6,8a-Seco-6,8a-deoxy-5-oxoavermectin''2b''aglycone
| Formula | C33H48O8 |
| Net Charge | 0 |
| Average Mass | 572.739 |
| Monoisotopic Mass | 572.33492 |
| 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@H](O)[C@H](C)[C@@H](C(C)C)O1)C2 |
| InChI | InChI=1S/C33H48O8/c1-18(2)30-23(7)28(35)16-32(41-30)15-25-14-24(40-32)12-11-20(4)29(36)19(3)9-8-10-22(6)33(38)17-27(34)21(5)13-26(33)31(37)39-25/h8-11,13,18-19,23-26,28-30,35-36,38H,12,14-17H2,1-7H3/b9-8+,20-11+,22-10+/t19-,23-,24+,25-,26-,28-,29-,30+,32-,33+/m0/s1 |
| InChIKey | SAJJUKVDFSFJNK-LJMQVFQTSA-N |
| Roles Classification |
|---|
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6,8a-Seco-6,8a-deoxy-5-oxoavermectin''2b''aglycone (CHEBI:182619) is a milbemycin (CHEBI:50345) |
| IUPAC Name |
|---|
| (1S,4R,4'S,5'S,6'R,9S,10E,12E,14S,15S,16E,19R,21R)-4',9,15-trihydroxy-5',6,10,14,16-pentamethyl-6'-propan-2-ylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,7-dione |