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CHEBI:201822 - Roxithromycin Impurity C

ChEBI IDCHEBI:201822
ChEBI NameRoxithromycin Impurity C
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SubmitterMetaboLights
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FormulaC37H68N2O13
Net Charge0
Average Mass748.952
Monoisotopic Mass748.47214
SMILESCCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=NO)C(C)C(O)C1(C)O
InChIInChI=1S/C37H68N2O13/c1-14-25-37(10,45)30(41)20(4)27(38-46)18(2)16-35(8,44)32(52-34-28(40)24(39(11)12)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-46H,14-17H2,1-13H3
InChIKeyKYTWXIARANQMCA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Roxithromycin Impurity C (CHEBI:201822) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
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4588222ChemSpider