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CHEBI:201545 - Spinosyn A 17-pseudoaglycone

ChEBI IDCHEBI:201545
ChEBI NameSpinosyn A 17-pseudoaglycone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H50O9
Net Charge0
Average Mass590.754
Monoisotopic Mass590.34548
SMILESCCC1CCCC(O)C(C)C(=O)C2=CC3C(C=CC4CC(OC5OC(C)C(OC)C(OC)C5OC)CC43)C2CC(=O)O1
InChIInChI=1S/C33H50O9/c1-7-20-9-8-10-27(34)17(2)29(36)26-15-24-22(25(26)16-28(35)41-20)12-11-19-13-21(14-23(19)24)42-33-32(39-6)31(38-5)30(37-4)18(3)40-33/h11-12,15,17-25,27,30-34H,7-10,13-14,16H2,1-6H3
InChIKeyKSCLXDPNSMLYPU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Spinosyn A 17-pseudoaglycone (CHEBI:201545) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2R,5S,7R,9R,10S,14R,15S,19S)-19-ethyl-15-hydroxy-14-methyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
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