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CHEBI:201521 - Dihydrospinosyn A aglycone

ChEBI IDCHEBI:201521
ChEBI NameDihydrospinosyn A aglycone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O5
Net Charge0
Average Mass404.547
Monoisotopic Mass404.25627
SMILESCCC1CCCC(O)C(C)C(=O)C2=CC3C4CC(O)CC4CCC3C2CC(=O)O1
InChIInChI=1S/C24H36O5/c1-3-16-5-4-6-22(26)13(2)24(28)21-11-19-17(20(21)12-23(27)29-16)8-7-14-9-15(25)10-18(14)19/h11,13-20,22,25-26H,3-10,12H2,1-2H3
InChIKeyILUFDLFVFFUVQX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Dihydrospinosyn A aglycone (CHEBI:201521) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2R,5R,7R,9R,10S,14R,15S,19S)-19-ethyl-7,15-dihydroxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docos-11-ene-13,21-dione
Manual XrefsDatabases
68004033ChemSpider