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CHEBI:209386 - Milbemycin beta3

ChEBI IDCHEBI:209386
ChEBI NameMilbemycin beta3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H42O5
Net Charge0
Average Mass494.672
Monoisotopic Mass494.30322
SMILESC/C1=C\C[C@@H]2CC(C[C@]3(CC[C@H](C)[C@@H](C)O3)O2)OC(=O)c2cc(C)c(O)cc2/C(C)=C/C=C/[C@H](C)C1
InChIInChI=1S/C31H42O5/c1-19-8-7-9-22(4)27-17-29(32)23(5)15-28(27)30(33)34-26-16-25(11-10-20(2)14-19)36-31(18-26)13-12-21(3)24(6)35-31/h7-10,15,17,19,21,24-26,32H,11-14,16,18H2,1-6H3/b8-7+,20-10+,22-9+/t19-,21-,24+,25+,26?,31-/m0/s1
InChIKeyPPMBESPRWFQXDF-KEMGXVBCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus subsp. aureolacrimosus (ncbitaxon:1987166) - PubMed (7451362)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Milbemycin beta3 (CHEBI:209386) is a milbemycin (CHEBI:50345)
IUPAC Name 
(5'S,6'R,10E,12E,14R,16E,19R,21R)-7-hydroxy-5',6,6',10,14,16-hexamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-4(9),5,7,10,12,16-hexaene-21,2'-oxane]-3-one
Manual XrefsDatabases
57525122ChemSpider