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CHEBI:204282 - UK-78618

ChEBI IDCHEBI:204282
ChEBI NameUK-78618
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H50O9
Net Charge0
Average Mass614.776
Monoisotopic Mass614.34548
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[C@@H]1C
InChIInChI=1S/C35H50O9/c1-8-19(2)30-23(6)15-28(36)34(44-30)17-26-16-25(43-34)13-12-21(4)29(37)20(3)10-9-11-24-18-41-32-31(40-7)22(5)14-27(33(38)42-26)35(24,32)39/h8-12,14,20,23,25-32,36-37,39H,13,15-18H2,1-7H3/b10-9-,19-8+,21-12-,24-11-/t20-,23-,25+,26-,27-,28+,29+,30+,31+,32+,34-,35+/m0/s1
InChIKeyGDYDDJBUQFLUBD-FZGXGROBSA-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-78618 (CHEBI:204282) 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',12,24-trihydroxy-21-methoxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Manual XrefsDatabases
78437116ChemSpider