(E)-sinapaldehyde 4-O-beta-D-glucopyranoside (CHEBI:142126)

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CHEBI:142126 - (E)-sinapaldehyde 4-O-β-D-glucopyranoside

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ChEBI ID	CHEBI:142126
ChEBI Name	(E)-sinapaldehyde 4-O-β-D-glucopyranoside
Stars
ASCII Name	(E)-sinapaldehyde 4-O-beta-D-glucopyranoside
Definition	A β-D-glucoside resulting from the formal condensation of the phenolic hydroxy group of (E)-sinapaldehyde with β-D-glucose.
Last Modified	8 October 2018
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C17H22O9
Net Charge	0
Average Mass	370.354
Monoisotopic Mass	370.12638
SMILES	COc1cc(/C=C/C=O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C17H22O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-7,12-15,17,19-22H,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1
InChIKey	OYTCTPHTVUEGCL-GCPOEHJPSA-N

Species of Metabolite	Component	Source	Comments
Ilex rotunda (ncbitaxon:53211)	bark (BTO:0001301)	PubMed (2510490)

Roles Classification

Biological Role:

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 Relation(s)
	(E)-sinapaldehyde 4-O-β-D-glucopyranoside (CHEBI:142126) has functional parent (E)-sinapaldehyde (CHEBI:27949)
	(E)-sinapaldehyde 4-O-β-D-glucopyranoside (CHEBI:142126) has role plant metabolite (CHEBI:76924)
	(E)-sinapaldehyde 4-O-β-D-glucopyranoside (CHEBI:142126) is a cinnamaldehydes (CHEBI:23245)
	(E)-sinapaldehyde 4-O-β-D-glucopyranoside (CHEBI:142126) is a dimethoxybenzene (CHEBI:51681)
	(E)-sinapaldehyde 4-O-β-D-glucopyranoside (CHEBI:142126) is a monosaccharide derivative (CHEBI:63367)
	(E)-sinapaldehyde 4-O-β-D-glucopyranoside (CHEBI:142126) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
2,6-dimethoxy-4-[(1E)-3-oxoprop-1-en-1-yl]phenyl β-D-glucopyranoside

Synonyms	Source
4-O-(β-D-glucosyl)-trans-sinapyl aldehyde	ChEBI
trans-sinapaldehyde β-D-glucoside	ChEBI
trans-sinapyl aldehyde 4-O-β-D-glucopyranoside	ChEBI
(E)-sinapaldehyde glucopyranoside	ChEBI
trans-sinapaldehyde glucoside	ChEBI
(E)-sinapyl aldehyde 4-O-β-D-glucopyranoside	ChEBI

UniProt Name	Source
4-O-(β-D-glucosyl)-4-trans-sinapoyl aldehyde	UniProt

Manual Xrefs	Databases
CPD-79	MetaCyc

Registry Numbers	Sources
Reaxys:6667986	Reaxys
CAS:154461-65-1	PubChem Compound

Citations