benzyl beta-D-glucopyranoside (CHEBI:141411)

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ChEBI Name	benzyl β-D-glucopyranoside

ChEBI ID	CHEBI:141411

ChEBI ASCII Name	benzyl beta-D-glucopyranoside

Definition	A β-D-glucoside that is β-D-glucopyranose in which the hydroxy group at position 1R is substituted by a benzyloxy group.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Mark Williams

Supplier Information

Download	Molfile XML SDF

Formula

C13H18O6

Net Charge

Average Mass

270.281

Monoisotopic Mass

270.11034

InChI

InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1

InChIKey

GKHCBYYBLTXYEV-UJPOAAIJSA-N

SMILES

OC[C@H]1O[C@@H](OCC=2C=CC=CC2)[C@@H]([C@H]([C@@H]1O)O)O

Metabolite of Species	Details
Asystasia intrusa (IPNI:45747-1)	Found in aerial part (BTO:0001658). See: PubMed
Prunus mume (NCBI:txid10210)	Found in fruit (BTO:0000486). See: PubMed
Alpinia officinarum (NCBI:txid199623)	Found in rhizome (BTO:0001181). See: PubMed
Acanthus ilicifolius (NCBI:txid328098)	See: PubMed
Chenopodium ambrosioides (NCBI:txid330163)	See: PubMed
Sorbus tianschanica (NCBI:txid691244)	See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	benzyl β-D-glucopyranoside (CHEBI:141411) has role plant metabolite (CHEBI:76924) benzyl β-D-glucopyranoside (CHEBI:141411) is a β-D-glucoside (CHEBI:22798) benzyl β-D-glucopyranoside (CHEBI:141411) is a benzenes (CHEBI:22712)

IUPAC Name

benzyl β-D-glucopyranoside

Synonyms	Sources
(2R,3R,4S,5S,6R)-2-(benzyloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol	ChEBI
1-O-benzyl-β-D-glucopyranose	ChEBI
benzyl-O-β-D-glucopyranoside	ChEBI
phenylmethyl β-D-glucopyranoside	ChEBI

Registry Number	Type	Source
4304-12-5	CAS Registry Number	ChemIDplus

Last Modified

12 June 2020