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CHEBI:200197 - UK-78614

ChEBI IDCHEBI:200197
ChEBI NameUK-78614
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SubmitterMetaboLights
DownloadsMolfile
FormulaC39H56O11
Net Charge0
Average Mass700.866
Monoisotopic Mass700.38226
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](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/C39H56O11/c1-10-21(4)31-25(8)33(48-36(42)20(2)3)34(41)38(50-31)18-28-17-27(49-38)15-14-23(6)30(40)22(5)12-11-13-26-19-46-35-32(45-9)24(7)16-29(37(43)47-28)39(26,35)44/h10-14,16,20,22,25,27-35,40-41,44H,15,17-19H2,1-9H3/b12-11-,21-10+,23-14-,26-13-/t22-,25+,27+,28-,29-,30+,31+,32+,33-,34+,35+,38-,39+/m0/s1
InChIKeyZMBSWZIZXBSIIK-OIRQPIJTSA-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-78614 (CHEBI:200197) 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',12,24-trihydroxy-21-methoxy-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
78436594ChemSpider