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CHEBI:198225 - (3S,4S,7R,9R,12S,13S,16R,18R)-3,9,12-Trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione

ChEBI IDCHEBI:198225
ChEBI Name(3S,4S,7R,9R,12S,13S,16R,18R)-3,9,12-Trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O6
Net Charge0
Average Mass382.497
Monoisotopic Mass382.23554
SMILESCC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1
InChIInChI=1S/C21H34O6/c1-5-15-11-17-7-9-18(26-17)13(3)20(22)24-12(2)10-16-6-8-19(25-16)14(4)21(23)27-15/h12-19H,5-11H2,1-4H3/t12-,13+,14+,15-,16-,17-,18+,19+/m1/s1
InChIKeyVLXJANUFVJNWKB-IDBRTZOQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces globisporus (ncbitaxon:1908) - DOI (10.1016/j.tet.2004.04.006)
ChEBI Ontology
Outgoing Relation(s)
(3S,4S,7R,9R,12S,13S,16R,18R)-3,9,12-Trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione (CHEBI:198225) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2S,5R,7R,10S,11S,14R,16R)-5-ethyl-2,11,14-trimethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
Manual XrefsDatabases
9421074ChemSpider