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CHEBI:136775 - 1-naphthyl β-D-glucoside

Default Structure
ChEBI IDCHEBI:136775
ChEBI Name1-naphthyl β-D-glucoside
Stars
ASCII Name1-naphthyl beta-D-glucoside
DefinitionA β-D-glucoside that is β-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 1-naphthyl group.
Last Modified14 March 2018
Submittermwilliams
DownloadsMolfile
FormulaC16H18O6
Net Charge0
Average Mass306.314
Monoisotopic Mass306.11034
SMILESOC[C@H]1O[C@@H](Oc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H18O6/c17-8-12-13(18)14(19)15(20)16(22-12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-20H,8H2/t12-,13-,14+,15-,16-/m1/s1
InChIKeyCVAOQMBKGUKOIZ-IBEHDNSVSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708)
- MetaboLights (MTBLS312)
- PubMed (27500669)
Scenedesmus obliquus (ncbitaxon:3088) - PubMed (9000339)
Roles Classification
Biological Roles:
Brassica napus metabolite  Any plant metabolite that is produced by rapeseed (Brassica napus).
algal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
ChEBI Ontology
Outgoing Relation(s)
1-naphthyl β-D-glucoside (CHEBI:136775) has functional parent 1-naphthol (CHEBI:10319)
1-naphthyl β-D-glucoside (CHEBI:136775) has role Brassica napus metabolite (CHEBI:140165)
1-naphthyl β-D-glucoside (CHEBI:136775) has role algal metabolite (CHEBI:84735)
1-naphthyl β-D-glucoside (CHEBI:136775) is a naphthalenes (CHEBI:25477)
1-naphthyl β-D-glucoside (CHEBI:136775) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
naphthalen-1-yl β-D-glucopyranoside
Synonyms  Source
1-naphthol glucosideChEBI
1-Naphthyl beta-D-glucopyranosideChemIDplus
1-NaphthylglucosideChemIDplus
naphthalen-1-yl β-D-glucosideChEBI
Registry NumbersSources
Reaxys:34364Reaxys
CAS:19939-82-3ChemIDplus
Citations