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CHEBI:65137 - N-hydroxydebrisoquine O-glucuronide

ChEBI IDCHEBI:65137
ChEBI NameN-hydroxydebrisoquine O-glucuronide
Stars
ASCII NameN-hydroxydebrisoquine O-glucuronide
DefinitionA glucosiduronic acid that is the O-β-D-glucuronide conjugate of N-hydroxydebrisoquine.
Last Modified11 July 2012
SubmitterBijay
DownloadsMolfile
FormulaC16H21N3O7
Net Charge0
Average Mass367.358
Monoisotopic Mass367.13795
SMILESNC(=NO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)N1CCc2ccccc2C1
InChIInChI=1S/C16H21N3O7/c17-16(19-6-5-8-3-1-2-4-9(8)7-19)18-26-15-12(22)10(20)11(21)13(25-15)14(23)24/h1-4,10-13,15,20-22H,5-7H2,(H2,17,18)(H,23,24)/t10-,11-,12+,13-,15-/m0/s1
InChIKeyIOVMNRAFAPHDOK-AIUMHDJVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-hydroxydebrisoquine O-glucuronide (CHEBI:65137) has functional parent debrisoquin (CHEBI:34665)
N-hydroxydebrisoquine O-glucuronide (CHEBI:65137) is a glucosiduronic acid (CHEBI:24302)
N-hydroxydebrisoquine O-glucuronide (CHEBI:65137) is a guanidines (CHEBI:24436)
IUPAC Name 
1-O-{-[amino(3,4-dihydroisoquinolin-2(1H)-yl)methylene]amino}-β-D-glucopyranuronic acid
Citations