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CHEBI:211721 - Milbemycin alpha20

ChEBI IDCHEBI:211721
ChEBI NameMilbemycin alpha20
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H50O9
Net Charge0
Average Mass626.787
Monoisotopic Mass626.34548
SMILESC/C=C(\C)C(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4/CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3
InChIInChI=1S/C36H50O9/c1-7-23(4)33(38)42-19-26-16-30-34(39)43-29-17-28(45-35(18-29)14-13-24(5)25(6)44-35)12-11-22(3)15-21(2)9-8-10-27-20-41-32(31(26)37)36(27,30)40/h7-11,16,21,24-25,28-32,37,40H,12-15,17-20H2,1-6H3/b9-8+,22-11+,23-7+,27-10-/t21-,24-,25+,28+,29-,30-,31+,32+,35-,36+/m0/s1
InChIKeyPAUJDBQAEOHNRD-OHHHSWFJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (10994811)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Milbemycin alpha20 (CHEBI:211721) is a milbemycin (CHEBI:50345)
IUPAC Name 
[(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-5',6',11,13-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-22-yl]methyl (E)-2-methylbut-2-enoate
Manual XrefsDatabases
8803117ChemSpider