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CHEBI:201508 - Bicyclomycin benzoate

ChEBI IDCHEBI:201508
ChEBI NameBicyclomycin benzoate
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FormulaC19H22N2O8
Net Charge0
Average Mass406.391
Monoisotopic Mass406.13762
SMILESC=C1CCOC2(C(O)C(C)(O)COC(=O)c3ccccc3)NC(=O)C1(O)NC2=O
InChIInChI=1S/C19H22N2O8/c1-11-8-9-29-19(16(25)20-18(11,27)15(24)21-19)14(23)17(2,26)10-28-13(22)12-6-4-3-5-7-12/h3-7,14,23,26-27H,1,8-10H2,2H3,(H,20,25)(H,21,24)
InChIKeyYYGLCPHONATYBU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Bicyclomycin benzoate (CHEBI:201508) is a benzoate ester (CHEBI:36054)
IUPAC Name 
[(2S,3S)-2,3-dihydroxy-3-[(1S,6R)-6-hydroxy-5-methylidene-8,10-dioxo-2-oxa-7,9-diazabicyclo[4.2.2]decan-1-yl]-2-methylpropyl] benzoate
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