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CHEBI:221482 - Milbemycin alpha23

ChEBI IDCHEBI:221482
ChEBI NameMilbemycin alpha23
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H50O9
Net Charge0
Average Mass614.776
Monoisotopic Mass614.34548
SMILESCCC(=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](CC)O1)C3
InChIInChI=1S/C35H50O9/c1-6-29-23(5)13-14-34(44-29)18-27-17-26(43-34)12-11-22(4)15-21(3)9-8-10-25-20-41-32-31(37)24(19-40-30(36)7-2)16-28(33(38)42-27)35(25,32)39/h8-11,16,21,23,26-29,31-32,37,39H,6-7,12-15,17-20H2,1-5H3/b9-8+,22-11+,25-10-/t21-,23-,26+,27-,28-,29+,31+,32+,34+,35+/m0/s1
InChIKeyMJHBOVPLDSQBDB-RCHZWVIZSA-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 alpha23 (CHEBI:221482) is a milbemycin (CHEBI:50345)
IUPAC Name 
[(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13-trimethyl-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 propanoate
Manual XrefsDatabases
8969182ChemSpider