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CHEBI:213141 - Milbemycin alpha22

ChEBI IDCHEBI:213141
ChEBI NameMilbemycin alpha22
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H48O9
Net Charge0
Average Mass600.749
Monoisotopic Mass600.32983
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](C)O1)C3
InChIInChI=1S/C34H48O9/c1-6-29(35)39-18-24-15-28-32(37)41-27-16-26(43-33(17-27)13-12-22(4)23(5)42-33)11-10-21(3)14-20(2)8-7-9-25-19-40-31(30(24)36)34(25,28)38/h7-10,15,20,22-23,26-28,30-31,36,38H,6,11-14,16-19H2,1-5H3/b8-7+,21-10+,25-9-/t20-,22-,23+,26+,27-,28-,30+,31+,33-,34+/m0/s1
InChIKeyXLQIVSCKAHVDRB-QATXLRTASA-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 alpha22 (CHEBI:213141) 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-5',6',11,13-tetramethyl-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
8683202ChemSpider