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CHEBI:202261 - UK-78621

ChEBI IDCHEBI:202261
ChEBI NameUK-78621
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SubmitterMetaboLights
DownloadsMolfile
FormulaC38H54O11
Net Charge0
Average Mass686.839
Monoisotopic Mass686.36661
SMILESC/C=C(\C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(/C)[C@H](O)[C@@H](C)/C=C\C=C4\CO[C@@H]5[C@H](O)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/C38H54O11/c1-9-20(4)31-24(8)32(47-35(42)19(2)3)33(41)37(49-31)17-27-16-26(48-37)14-13-22(6)29(39)21(5)11-10-12-25-18-45-34-30(40)23(7)15-28(36(43)46-27)38(25,34)44/h9-13,15,19,21,24,26-34,39-41,44H,14,16-18H2,1-8H3/b11-10-,20-9+,22-13-,25-12-/t21-,24+,26+,27-,28-,29+,30+,31+,32-,33+,34+,37-,38+/m0/s1
InChIKeyZENJVOZKRUHANF-YHKAVIFPSA-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-78621 (CHEBI:202261) 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',12,21,24-tetrahydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-4'-yl] 2-methylpropanoate
Manual XrefsDatabases
78436842ChemSpider