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CHEBI:201548 - Spinosyn D aglycone

ChEBI IDCHEBI:201548
ChEBI NameSpinosyn D aglycone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O5
Net Charge0
Average Mass416.558
Monoisotopic Mass416.25627
SMILESCCC1CCCC(O)C(C)C(=O)C2=CC3C(C=C(C)C4CC(O)CC43)C2CC(=O)O1
InChIInChI=1S/C25H36O5/c1-4-16-6-5-7-23(27)14(3)25(29)22-11-20-18(21(22)12-24(28)30-16)8-13(2)17-9-15(26)10-19(17)20/h8,11,14-21,23,26-27H,4-7,9-10,12H2,1-3H3
InChIKeyXJXGESFEOGOUOJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Spinosyn D aglycone (CHEBI:201548) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2S,5R,7S,9S,10S,14R,15S,19S)-19-ethyl-7,15-dihydroxy-4,14-dimethyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
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8797212ChemSpider