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CHEBI:204023 - Milbemycin alpha24

ChEBI IDCHEBI:204023
ChEBI NameMilbemycin alpha24
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46O8
Net Charge0
Average Mass558.712
Monoisotopic Mass558.31927
SMILESCO[C@@H]1C(CO)=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]1[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3
InChIInChI=1S/C32H46O8/c1-19-7-6-8-24-18-37-29-28(36-5)23(17-33)14-27(32(24,29)35)30(34)38-26-15-25(10-9-20(2)13-19)40-31(16-26)12-11-21(3)22(4)39-31/h6-9,14,19,21-22,25-29,33,35H,10-13,15-18H2,1-5H3/b7-6+,20-9+,24-8-/t19-,21-,22+,25+,26-,27-,28+,29+,31-,32+/m0/s1
InChIKeyJOZFTBFLFFGCEJ-KWRZRNPLSA-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 alpha24 (CHEBI:204023) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21R,24S)-24-hydroxy-22-(hydroxymethyl)-21-methoxy-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
8968248ChemSpider