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CHEBI:216116 - Milbemycin beta10

ChEBI IDCHEBI:216116
ChEBI NameMilbemycin beta10
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H50O8
Net Charge0
Average Mass574.755
Monoisotopic Mass574.35057
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=C(\CO)[C@]3(O)[C@H](O)[C@H](OC)C(C)=C[C@H]3C(=O)O1)O2
InChIInChI=1S/C33H50O8/c1-7-28-22(4)13-14-32(41-28)18-26-17-25(40-32)12-11-21(3)15-20(2)9-8-10-24(19-34)33(37)27(31(36)39-26)16-23(5)29(38-6)30(33)35/h8-11,16,20,22,25-30,34-35,37H,7,12-15,17-19H2,1-6H3/b9-8+,21-11+,24-10+/t20-,22-,25+,26-,27-,28+,29+,30+,32+,33+/m0/s1
InChIKeyKVTJTRFAAHQVBH-GSQYPKHESA-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 beta10 (CHEBI:216116) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1S,4R,5'S,6'R,7R,8R,9S,10E,12E,14R,16E,19R,21R)-6'-ethyl-8,9-dihydroxy-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
9016180ChemSpider