coniferaldehyde beta-D-glucoside (CHEBI:136949)

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CHEBI:136949 - coniferaldehyde β-D-glucoside

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ChEBI ID	CHEBI:136949
ChEBI Name	coniferaldehyde β-D-glucoside
Stars
ASCII Name	coniferaldehyde beta-D-glucoside
Definition	A β-D-glucoside that is coniferaldehyde in which the phenolic hydrogen has been replaced by a β-D-glucosyl residue.
Last Modified	23 May 2023
Submitter	mwilliams
Downloads	Molfile

Formula	C16H20O8
Net Charge	0
Average Mass	340.328
Monoisotopic Mass	340.11582
SMILES	COc1cc(/C=C/C=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C16H20O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-7,12-16,18-21H,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1
InChIKey	PJFKUPRDDXTASO-FAOXUISGSA-N

Species of Metabolite	Component	Source	Comments
Arabidopsis thaliana (ncbitaxon:3702)
	-	PubMed (27656890)
	-	MetaboLights (MTBLS272)
Eucommia ulmoides (ncbitaxon:4392)	bark (BTO:0001301)	PubMed (23847077)
Ginkgo biloba (ncbitaxon:3311)	-	PubMed (15986215)

Roles Classification

Biological Role:

Arabidopsis thaliana metabolite Any plant metabolite that is produced by Arabidopsis thaliana.

ChEBI Ontology

Outgoing Relation(s)
	coniferaldehyde β-D-glucoside (CHEBI:136949) has functional parent coniferyl aldehyde (CHEBI:16547)
	coniferaldehyde β-D-glucoside (CHEBI:136949) has role Arabidopsis thaliana metabolite (CHEBI:140602)
	coniferaldehyde β-D-glucoside (CHEBI:136949) is a enal (CHEBI:51688)
	coniferaldehyde β-D-glucoside (CHEBI:136949) is a monomethoxybenzene (CHEBI:25235)
	coniferaldehyde β-D-glucoside (CHEBI:136949) is a monosaccharide derivative (CHEBI:63367)
	coniferaldehyde β-D-glucoside (CHEBI:136949) is a β-D-glucoside (CHEBI:22798)

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

Synonyms	Source
coniferaldehyde O-β-D-glucoside	ChEBI
coniferaldehyde glucoside	ChEBI
coniferaldehyde β-glucoside	ChEBI
ferulaldehyde O-β-D-glucoside	ChEBI
ferulaldehyde glucoside	ChEBI
ferulaldehyde β-glucoside	ChEBI

UniProt Name	Source
4-O-(β-D-glucosyl)-4-(E)-coniferyl aldehyde	UniProt

Manual Xrefs	Databases
CPD-81	MetaCyc

Registry Numbers	Sources
Reaxys:49673	Reaxys

Citations