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CHEBI:206632 - Milbemycin alpha27

ChEBI IDCHEBI:206632
ChEBI NameMilbemycin alpha27
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46O8
Net Charge0
Average Mass558.712
Monoisotopic Mass558.31927
SMILESCC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(CO)=C[C@@H](C(=O)O1)[C@]34O)O2
InChIInChI=1S/C32H46O8/c1-5-27-21(4)11-12-31(40-27)16-25-15-24(39-31)10-9-20(3)13-19(2)7-6-8-23-18-37-29-28(34)22(17-33)14-26(30(35)38-25)32(23,29)36/h6-9,14,19,21,24-29,33-34,36H,5,10-13,15-18H2,1-4H3/b7-6+,20-9+,23-8-/t19-,21-,24+,25-,26-,27+,28+,29+,31+,32+/m0/s1
InChIKeyUITYNHBZSXTYGH-WEYLGTDFSA-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 alpha27 (CHEBI:206632) 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-22-(hydroxymethyl)-5',11,13-trimethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Manual XrefsDatabases
8873414ChemSpider