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CHEBI:218337 - 27-formaldehyde-milbemycin beta14
| Formula | C32H42O6 |
| Net Charge | 0 |
| Average Mass | 522.682 |
| Monoisotopic Mass | 522.29814 |
| SMILES | CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\C=O)c3cc(O)c(C)cc3C(=O)O1)O2 |
| InChI | InChI=1S/C32H42O6/c1-6-30-22(4)12-13-32(38-30)18-26-16-25(37-32)11-10-21(3)14-20(2)8-7-9-24(19-33)27-17-29(34)23(5)15-28(27)31(35)36-26/h7-10,15,17,19-20,22,25-26,30,34H,6,11-14,16,18H2,1-5H3/b8-7+,21-10+,24-9+/t20-,22-,25+,26-,30+,32+/m0/s1 |
| InChIKey | JGPJFMHMGCEUNW-UHLSCQKPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (27589571) |
| Roles Classification |
|---|
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 27-formaldehyde-milbemycin beta14 (CHEBI:218337) is a milbemycin (CHEBI:50345) |
| IUPAC Name |
|---|
| (1S,5'S,6'R,10Z,12E,14R,16E,19R,21R)-6'-ethyl-7-hydroxy-5',6,14,16-tetramethyl-3-oxospiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-4(9),5,7,10,12,16-hexaene-21,2'-oxane]-10-carbaldehyde |
| Manual Xrefs | Databases |
|---|---|
| 78441810 | ChemSpider |