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CHEBI:201665 - Roxithromycin Impurity F

ChEBI IDCHEBI:201665
ChEBI NameRoxithromycin Impurity F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC40H74N2O15
Net Charge0
Average Mass823.031
Monoisotopic Mass822.50892
SMILESCCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(NC)C2O)C(C)(O)CC(C)C(=NOCOCCOC)C(C)C(O)C1(C)O
InChIInChI=1S/C40H74N2O15/c1-14-28-40(10,48)33(44)23(4)30(42-52-20-51-16-15-49-12)21(2)18-38(8,47)35(57-37-31(43)27(41-11)17-22(3)53-37)24(5)32(25(6)36(46)55-28)56-29-19-39(9,50-13)34(45)26(7)54-29/h21-29,31-35,37,41,43-45,47-48H,14-20H2,1-13H3
InChIKeyHVLDACGFXJHOFG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Roxithromycin Impurity F (CHEBI:201665) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
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