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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

pseudoerythromycin a enol ether  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C37H65NO12

inchi

  • InChI=1S/C37H65NO12/c1-14-25(39)37(10,43)32-20(4)28-18(2)16-36(9,50-28)31(49-34-27(40)24(38(11)12)15-19(3)45-34)21(5)29(22(6)33(42)48-32)47-26-17-35(8,44-13)30(41)23(7)46-26/h19-27,29-32,34,39-41,43H,14-17H2,1-13H3

inchikey

  • NMIWBQUQCOMGHJ-UHFFFAOYSA-N

mass

  • 715.922

monoisotopicmass

  • 715.45068

smiles

  • O=C1OC(C(O)(C(O)CC)C)C(C=2OC(C(C(C(C1C)OC3OC(C(O)C(C3)(OC)C)C)C)OC4OC(CC(C4O)N(C)C)C)(C)CC2C)C

subset

  • 2_STAR

synonym EXACT

  • (2R,3R,6R,7S,8S,9R,10R)-3-[(2R,3R)-2,3-dihydroxypentan-2-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201781

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