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CHEBI:198919 - UK-78629

ChEBI IDCHEBI:198919
ChEBI NameUK-78629
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SubmitterMetaboLights
DownloadsMolfile
FormulaC39H56O10
Net Charge0
Average Mass684.867
Monoisotopic Mass684.38735
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)C)[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[C@@H]1C
InChIInChI=1S/C39H56O10/c1-10-22(4)33-26(8)17-31(40)38(49-33)19-29-18-28(48-38)15-14-24(6)32(47-36(41)21(2)3)23(5)12-11-13-27-20-45-35-34(44-9)25(7)16-30(37(42)46-29)39(27,35)43/h10-14,16,21,23,26,28-35,40,43H,15,17-20H2,1-9H3/b12-11-,22-10+,24-14-,27-13-/t23-,26-,28+,29-,30-,31+,32+,33+,34+,35+,38-,39+/m0/s1
InChIKeyOSQLEUPDNRRMMI-UHRMOPDZSA-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-78629 (CHEBI:198919) is a milbemycin (CHEBI:50345)
IUPAC Name 
[(1R,3'R,4S,5'S,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-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-methylpropanoate
Manual XrefsDatabases
78436424ChemSpider