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CHEBI:85156 - dihydroconiferyl alcohol glucoside

Default Structure
ChEBI IDCHEBI:85156
ChEBI Namedihydroconiferyl alcohol glucoside
Stars
DefinitionA primary alcohol that is dihydroconiferyl alcohol attached to a β-D-glucopyranosyl residue at position 1 via a glycosidic linkage.
Last Modified9 March 2015
Submitternamrata
DownloadsMolfile
FormulaC16H24O8
Net Charge0
Average Mass344.360
Monoisotopic Mass344.14712
SMILESCOc1cc(CCCO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H24O8/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/h4-5,7,12-21H,2-3,6,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyQFYFLJZBZITPGX-IBEHDNSVSA-N
Species of MetaboliteComponentSourceComments
Centella asiatica (ncbitaxon:48106) - MetaboLights (MTBLS175)
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)
dihydroconiferyl alcohol glucoside (CHEBI:85156) has functional parent dihydroconiferyl alcohol (CHEBI:4559)
dihydroconiferyl alcohol glucoside (CHEBI:85156) has role plant metabolite (CHEBI:76924)
dihydroconiferyl alcohol glucoside (CHEBI:85156) is a monomethoxybenzene (CHEBI:25235)
dihydroconiferyl alcohol glucoside (CHEBI:85156) is a monosaccharide derivative (CHEBI:63367)
dihydroconiferyl alcohol glucoside (CHEBI:85156) is a primary alcohol (CHEBI:15734)
dihydroconiferyl alcohol glucoside (CHEBI:85156) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
4-(3-hydroxypropyl)-2-methoxyphenyl β-D-glucopyranoside
Manual XrefsDatabases
CPD-82MetaCyc
Registry NumbersSources
Reaxys:1397859Reaxys
Citations