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CHEBI:134457 - HMBOA β-D-glucoside

ChEBI IDCHEBI:134457
ChEBI NameHMBOA β-D-glucoside
Stars
ASCII NameHMBOA beta-D-glucoside
DefinitionA β-D-glucoside derived from 2-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazine.
Last Modified30 June 2017
SubmitterKeeva
DownloadsMolfile
FormulaC15H19NO9
Net Charge0
Average Mass357.315
Monoisotopic Mass357.10598
SMILESCOc1ccc2c(c1)OC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2
InChIInChI=1S/C15H19NO9/c1-22-6-2-3-7-8(4-6)23-15(13(21)16-7)25-14-12(20)11(19)10(18)9(5-17)24-14/h2-4,9-12,14-15,17-20H,5H2,1H3,(H,16,21)/t9-,10-,11+,12-,14+,15?/m1/s1
InChIKeyPMBZSEOAOIYRMW-XGHDNVSXSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - MetaboLights (MTBLS313)
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS313)
Roles Classification
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
HMBOA β-D-glucoside (CHEBI:134457) has functional parent HBOA (CHEBI:63559)
HMBOA β-D-glucoside (CHEBI:134457) has role mouse metabolite (CHEBI:75771)
HMBOA β-D-glucoside (CHEBI:134457) has role rat metabolite (CHEBI:86264)
HMBOA β-D-glucoside (CHEBI:134457) is a aromatic ether (CHEBI:35618)
HMBOA β-D-glucoside (CHEBI:134457) is a benzoxazine (CHEBI:46969)
HMBOA β-D-glucoside (CHEBI:134457) is a monosaccharide derivative (CHEBI:63367)
HMBOA β-D-glucoside (CHEBI:134457) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl β-D-glucopyranoside
Synonym  Source
HMBOA D-glucosideChEBI
Manual XrefsDatabases
HMDB0037263HMDB
Registry NumbersSources
Reaxys:4564639Reaxys
CAS:17622-26-3HMDB