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CHEBI:226509 - Milbemycin alpha25

ChEBI IDCHEBI:226509
ChEBI NameMilbemycin alpha25
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H48O8
Net Charge0
Average Mass572.739
Monoisotopic Mass572.33492
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](OC)C(CO)=C[C@@H](C(=O)O1)[C@]34O)O2
InChIInChI=1S/C33H48O8/c1-6-28-22(4)12-13-32(41-28)17-26-16-25(40-32)11-10-21(3)14-20(2)8-7-9-24-19-38-30-29(37-5)23(18-34)15-27(31(35)39-26)33(24,30)36/h7-10,15,20,22,25-30,34,36H,6,11-14,16-19H2,1-5H3/b8-7+,21-10+,24-9-/t20-,22-,25+,26-,27-,28+,29+,30+,32+,33+/m0/s1
InChIKeyMBHWVZHKECHVOD-NXUJUDBJSA-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 alpha25 (CHEBI:226509) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21R,24S)-6'-ethyl-24-hydroxy-22-(hydroxymethyl)-21-methoxy-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
8897157ChemSpider