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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DefinitionA β-D-glucoside that is β-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 1-naphthyl group.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:
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.
Brassica napus metabolite  Any plant metabolite that is produced by rapeseed (Brassica napus).
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