EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:16220 - coniferin

ChEBI IDCHEBI:16220
ChEBI Nameconiferin
Stars
DefinitionA monosaccharide derivative that is coniferol attached to a β-D-glucopyranosyl residue at position 1 via a glycosidic linkage.
Secondary ChEBI IDsCHEBI:3857, CHEBI:14015, CHEBI:23370
Last Modified23 May 2023
DownloadsMolfile
FormulaC16H22O8
Net Charge0
Average Mass342.344
Monoisotopic Mass342.13147
SMILESCOc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H22O8/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/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1
InChIKeySFLMUHDGSQZDOW-FAOXUISGSA-N
Wikipedia
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)
coniferin (CHEBI:16220) has functional parent coniferol (CHEBI:17745)
coniferin (CHEBI:16220) has role plant metabolite (CHEBI:76924)
coniferin (CHEBI:16220) is a aromatic ether (CHEBI:35618)
coniferin (CHEBI:16220) is a cinnamyl alcohol β-D-glucoside (CHEBI:20346)
coniferin (CHEBI:16220) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name 
4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenyl β-D-glucopyranoside
Synonyms  Source
ConiferinKEGG COMPOUND
Coniferyl alcohol beta-D-glucosideChemIDplus
UniProt Name  Source
4-O-(β-D-glucosyl)-(E)-coniferolUniProt
Manual XrefsDatabases
C00761KEGG COMPOUND
C00761KEGG COMPOUND
HMDB0013682HMDB
C00002727KNApSAcK
CPD-1777MetaCyc
ConiferinWikipedia
Registry NumbersSources
Reaxys:1296933Reaxys
CAS:531-29-3KEGG COMPOUND
CAS:531-29-3ChemIDplus
Citations