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CHEBI:201529 - 3-Ethoxy-5,6-dihydro-spinosyn J 17-pseudoaglycone

ChEBI IDCHEBI:201529
ChEBI Name3-Ethoxy-5,6-dihydro-spinosyn J 17-pseudoaglycone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H54O9
Net Charge0
Average Mass606.797
Monoisotopic Mass606.37678
SMILESCCOC1C(OC)C(C)OC(OC2CC3CCC4C5CC(=O)OC(CC)CCCC(O)C(C)C(=O)C5=CC4C3C2)C1OC
InChIInChI=1S/C34H54O9/c1-7-21-10-9-11-28(35)18(3)30(37)27-16-25-23(26(27)17-29(36)42-21)13-12-20-14-22(15-24(20)25)43-34-33(39-6)32(40-8-2)31(38-5)19(4)41-34/h16,18-26,28,31-35H,7-15,17H2,1-6H3
InChIKeyXQMXNJMHUPATAK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Ethoxy-5,6-dihydro-spinosyn J 17-pseudoaglycone (CHEBI:201529) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2R,5R,7R,9R,10S,14R,15S,19S)-7-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-19-ethyl-15-hydroxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docos-11-ene-13,21-dione
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71117169ChemSpider