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CHEBI:216629 - UK-78,624

ChEBI IDCHEBI:216629
ChEBI NameUK-78,624
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H54O10
Net Charge0
Average Mass670.840
Monoisotopic Mass670.37170
SMILESC/C=C(\C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@H](OC(=O)C(C)C)[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[C@@H]1C
InChIInChI=1S/C38H54O10/c1-9-21(4)33-25(8)16-30(39)37(48-33)18-28-17-27(47-37)14-13-23(6)32(46-35(41)20(2)3)22(5)11-10-12-26-19-44-34-31(40)24(7)15-29(36(42)45-28)38(26,34)43/h9-13,15,20,22,25,27-34,39-40,43H,14,16-19H2,1-8H3/b11-10+,21-9+,23-13?,26-12-/t22-,25-,27+,28-,29-,30+,31+,32+,33+,34+,37-,38+/m0/s1
InChIKeyAAYIADJXSCBLCS-NCSOIZIVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1624368)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
UK-78,624 (CHEBI:216629) is a milbemycin (CHEBI:50345)
IUPAC Name 
[(1R,3'R,4S,5'S,6S,6'S,8R,12R,13S,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-3',21,24-trihydroxy-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