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CHEBI:205044 - Milbemycin alpha26

ChEBI IDCHEBI:205044
ChEBI NameMilbemycin alpha26
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44O8
Net Charge0
Average Mass544.685
Monoisotopic Mass544.30362
SMILESC/C1=C\C[C@@H]2C[C@@H](C[C@]3(CC[C@H](C)[C@@H](C)O3)O2)OC(=O)[C@@H]2C=C(CO)[C@@H](O)[C@H]3OC/C(=C\C=C\[C@H](C)C1)[C@]32O
InChIInChI=1S/C31H44O8/c1-18-6-5-7-23-17-36-28-27(33)22(16-32)13-26(31(23,28)35)29(34)37-25-14-24(9-8-19(2)12-18)39-30(15-25)11-10-20(3)21(4)38-30/h5-8,13,18,20-21,24-28,32-33,35H,9-12,14-17H2,1-4H3/b6-5+,19-8+,23-7-/t18-,20-,21+,24+,25-,26-,27+,28+,30-,31+/m0/s1
InChIKeyLXOSHDXRECTRAY-XWGUJTCQSA-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 alpha26 (CHEBI:205044) 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-22-(hydroxymethyl)-5',6',11,13-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
8729943ChemSpider