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CHEBI:133026 - salicyluric β-D-glucuronide

ChEBI IDCHEBI:133026
ChEBI Namesalicyluric β-D-glucuronide
Stars
ASCII Namesalicyluric beta-D-glucuronide
DefinitionA carboxylic ester resulting from the formal condensation of the carboxy group of salicyluric acid with the anomeric hydroxy group of β-D-glucuronic acid.
Last Modified16 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC15H17NO10
Net Charge0
Average Mass371.298
Monoisotopic Mass371.08525
SMILESO=C(CNC(=O)c1ccccc1O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H17NO10/c17-7-4-2-1-3-6(7)13(22)16-5-8(18)25-15-11(21)9(19)10(20)12(26-15)14(23)24/h1-4,9-12,15,17,19-21H,5H2,(H,16,22)(H,23,24)/t9-,10-,11+,12-,15+/m0/s1
InChIKeyOEPADIDIUZTYOX-QKZHPOIUSA-N
ChEBI Ontology
Outgoing Relation(s)
salicyluric β-D-glucuronide (CHEBI:133026) has functional parent salicyluric acid (CHEBI:9008)
salicyluric β-D-glucuronide (CHEBI:133026) is a O-acyl carbohydrate (CHEBI:52782)
salicyluric β-D-glucuronide (CHEBI:133026) is a β-D-glucosiduronic acid (CHEBI:15341)
salicyluric β-D-glucuronide (CHEBI:133026) is conjugate acid of salicyluric β-D-glucuronide(1−) (CHEBI:133027)
Incoming Relation(s)
salicyluric β-D-glucuronide(1−) (CHEBI:133027) is conjugate base of salicyluric β-D-glucuronide (CHEBI:133026)
IUPAC Name 
1-O-[N-(2-hydroxybenzoyl)glycyl]-β-D-glucopyranuronic acid
Synonyms  Source
salicyluric glucuronideChEBI
1-O-[N-(2-hydroxybenzoyl)glycyl]-β-D-glucronic acidChEBI
1-O-salicyluroyl-β-D-glucuronic acidChEBI