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

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ChEBI Name (E)-sinapaldehyde 4-O-β-D-glucopyranoside
ChEBI ID CHEBI:142126
ChEBI 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C17H22O9
Net Charge 0
Average Mass 370.352
Monoisotopic Mass 370.12638
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
SMILES C=1(C(=CC(/C=C/C=O)=CC1OC)OC)O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO
Metabolite of Species Details
Ilex rotunda (NCBI:txid53211) Found in bark (BTO:0001301). 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 β-D-glucoside (CHEBI:22798)
(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)
IUPAC Name
2,6-dimethoxy-4-[(1E)-3-oxoprop-1-en-1-yl]phenyl β-D-glucopyranoside
Synonyms Sources
(E)-sinapaldehyde glucopyranoside ChEBI
(E)-sinapic aldehyde 4-O-β-D-glucopyranoside ChEBI
(E)-sinapyl aldehyde 4-O-β-D-glucopyranoside ChEBI
4-O-(β-D-glucosyl)-4-trans-sinapoyl aldehyde UniProt
4-O-(β-D-glucosyl)-trans-sinapyl aldehyde ChEBI
sinapaldehyde glucoside ChEBI
sinapic aldehyde glucoside ChEBI
sinapyl aldehyde glucoside ChEBI
trans-4-O-(β-D-glucosyl)-sinapoyl aldehyde ChEBI
trans-sinapaldehyde 4-O-β-D-glucopyranoside ChEBI
trans-sinapaldehyde β-D-glucoside ChEBI
trans-sinapaldehyde glucoside ChEBI
trans-sinapic aldehyde 4-O-β-D-glucopyranoside ChEBI
trans-sinapyl aldehyde 4-O-β-D-glucopyranoside ChEBI
Manual Xref Database
CPD-79 MetaCyc
View more database links
Registry Numbers Types Sources
154461-65-1 CAS Registry Number PubChem
6667986 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15907484 PubMed citation SUBMITTER
25104900 PubMed citation Europe PMC
25132792 PubMed citation Europe PMC
Last Modified
08 October 2018