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CHEBI:231044 - Milbemycin beta2

ChEBI IDCHEBI:231044
ChEBI NameMilbemycin beta2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H50O7
Net Charge0
Average Mass558.756
Monoisotopic Mass558.35565
SMILESCCC1OC2(CCC1C)CC1CC(C/C=C(/C)CC(C)/C=C/C=C(/CO)C3(O)CC(OC)C(C)=CC3C(=O)O1)O2
InChIInChI=1S/C33H50O7/c1-7-29-23(4)13-14-32(40-29)18-27-17-26(39-32)12-11-22(3)15-21(2)9-8-10-25(20-34)33(36)19-30(37-6)24(5)16-28(33)31(35)38-27/h8-11,16,21,23,26-30,34,36H,7,12-15,17-20H2,1-6H3/b9-8+,22-11-,25-10-
InChIKeyPGFGQERXTDRVHO-SVHMSXJUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Milbemycin beta2 (CHEBI:231044) is a milbemycin (CHEBI:50345)
IUPAC Name 
(10Z,12E,16Z)-6'-ethyl-9-hydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
Manual XrefsDatabases
4947071ChemSpider