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CHEBI:5544 - Grepafloxacin glucuronide

ChEBI IDCHEBI:5544
ChEBI NameGrepafloxacin glucuronide
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC25H30FN3O9
Net Charge0
Average Mass535.525
Monoisotopic Mass535.19661
SMILESCc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)cn2C1CC1
InChIInChI=1S/C25H30FN3O9/c1-10-8-28(6-5-27-10)15-7-14-16(11(2)17(15)26)18(30)13(9-29(14)12-3-4-12)24(36)38-25-21(33)19(31)20(32)22(37-25)23(34)35/h7,9-10,12,19-22,25,27,31-33H,3-6,8H2,1-2H3,(H,34,35)/t10?,19-,20-,21+,22-,25-/m0/s1
InChIKeyXFRNDEMKHRYQIZ-NWHISXNDSA-N
ChEBI Ontology
Outgoing Relation(s)
Grepafloxacin glucuronide (CHEBI:5544) is a glucosiduronic acid (CHEBI:24302)
Synonyms  Source
Grepafloxacin glucuronideKEGG COMPOUND
Grepafloxacin 3-glucuronideKEGG COMPOUND
Manual XrefsDatabases
C11597KEGG COMPOUND