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CHEBI:213897 - Milbemycin alpha30

ChEBI IDCHEBI:213897
ChEBI NameMilbemycin alpha30
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H54O10
Net Charge0
Average Mass658.829
Monoisotopic Mass658.37170
SMILESCCC(C)C(=O)O[C@H]1[C@H](C)[C@@H](CC)O[C@@]2(C[C@@H]3C[C@@H](C/C=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]1O
InChIInChI=1S/C37H54O10/c1-8-22(5)34(40)45-31-24(7)29(9-2)47-36(32(31)39)18-27-17-26(46-36)14-13-21(4)15-20(3)11-10-12-25-19-43-33-30(38)23(6)16-28(35(41)44-27)37(25,33)42/h10-13,16,20,22,24,26-33,38-39,42H,8-9,14-15,17-19H2,1-7H3/b11-10-,21-13-,25-12-/t20-,22?,24+,26+,27-,28-,29+,30+,31-,32+,33+,36-,37+/m0/s1
InChIKeyJTPWFIZGWKBWAX-BAKNBALBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces bingchenggensis (ncbitaxon:379067) - PubMed (17965476)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Milbemycin alpha30 (CHEBI:213897) is a milbemycin (CHEBI:50345)
IUPAC Name 
[(1R,3'R,4S,4'S,5'R,6S,6'R,8R,10Z,13R,14Z,16Z,20R,21R,24S)-6'-ethyl-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]-4'-yl] 2-methylbutanoate
Manual XrefsDatabases
78438051ChemSpider