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CHEBI:222305 - UK-79465

ChEBI IDCHEBI:222305
ChEBI NameUK-79465
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SubmitterMetaboLights
DownloadsMolfile
FormulaC44H64O12
Net Charge0
Average Mass784.984
Monoisotopic Mass784.43978
SMILESC/C=C(\C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(/C)[C@H](OC(=O)C(C)CC)[C@@H](C)/C=C\C=C4/CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)[C@H](O)[C@@H](OC(=O)C(C)C)[C@@H]1C
InChIInChI=1S/C44H64O12/c1-12-24(5)35-29(10)37(54-40(46)23(3)4)38(45)43(56-35)21-32-20-31(55-43)18-17-27(8)34(53-41(47)25(6)13-2)26(7)15-14-16-30-22-51-39-36(50-11)28(9)19-33(42(48)52-32)44(30,39)49/h12,14-17,19,23,25-26,29,31-39,45,49H,13,18,20-22H2,1-11H3/b15-14-,24-12+,27-17-,30-16+/t25?,26-,29+,31+,32-,33-,34+,35+,36+,37-,38+,39+,43-,44+/m0/s1
InChIKeyWYGWUWHGWCRPPI-UJSUABPCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (1624368)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
UK-79465 (CHEBI:222305) is a milbemycin (CHEBI:50345)
IUPAC Name 
[(1R,3'R,4S,4'S,5'R,6S,6'S,8R,10Z,12R,13S,14Z,16Z,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-3',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-4'-(2-methylpropanoyloxy)-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylbutanoate
Manual XrefsDatabases
78438238ChemSpider