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CHEBI:201661 - Anhydroerythromycin A

ChEBI IDCHEBI:201661
ChEBI NameAnhydroerythromycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H65NO12
Net Charge0
Average Mass715.922
Monoisotopic Mass715.45068
SMILESCCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)C3(O2)OC1(C)C(O)C3C
InChIInChI=1S/C37H65NO12/c1-14-25-36(10)29(40)22(6)37(50-36)18(2)16-35(9,49-37)31(48-33-27(39)24(38(11)12)15-19(3)44-33)20(4)28(21(5)32(42)46-25)47-26-17-34(8,43-13)30(41)23(7)45-26/h18-31,33,39-41H,14-17H2,1-13H3
InChIKeyYKAVHPRGGAUFDN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Anhydroerythromycin A (CHEBI:201661) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(1S,2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3-hydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15,16-trioxatricyclo[10.2.1.11,4]hexadecan-7-one
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