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CHEBI:201530 - 3-Ethoxy-spinosyn L 17-pseudoaglycone

ChEBI IDCHEBI:201530
ChEBI Name3-Ethoxy-spinosyn L 17-pseudoaglycone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H54O9
Net Charge0
Average Mass618.808
Monoisotopic Mass618.37678
SMILESCCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O[C@H]2C[C@H]3[C@@H]4C=C5C(=O)C(C)C(O)CCC[C@H](CC)OC(=O)C[C@H]5[C@@H]4C=C(C)[C@@H]3C2)[C@@H]1OC
InChIInChI=1S/C35H54O9/c1-8-21-11-10-12-29(36)19(4)31(38)28-16-26-24(27(28)17-30(37)43-21)13-18(3)23-14-22(15-25(23)26)44-35-34(40-7)33(41-9-2)32(39-6)20(5)42-35/h13,16,19-27,29,32-36H,8-12,14-15,17H2,1-7H3/t19?,20-,21-,22+,23-,24+,25+,26+,27-,29?,32-,33+,34+,35-/m0/s1
InChIKeyQTDUHVNIJHBCHA-RAHJGPAHSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Ethoxy-spinosyn L 17-pseudoaglycone (CHEBI:201530) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1S,2S,5R,7S,9S,10S,14R,15S,19S)-7-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-19-ethyl-15-hydroxy-4,14-dimethyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
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