EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:18428 - sinapoyl D-glucoside

ChEBI IDCHEBI:18428
ChEBI Namesinapoyl D-glucoside
Stars
ASCII Namesinapoyl D-glucoside
Secondary ChEBI IDsCHEBI:688, CHEBI:11298
Last Modified26 October 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H22O10
Net Charge0
Average Mass386.353
Monoisotopic Mass386.12130
SMILESCOc1cc(/C=C/C(=O)OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
InChIInChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17?/m1/s1
InChIKeyXRKBRPFTFKKHEF-CNMVGKJOSA-N
ChEBI Ontology
Outgoing Relation(s)
sinapoyl D-glucoside (CHEBI:18428) has functional parent trans-sinapic acid (CHEBI:15714)
sinapoyl D-glucoside (CHEBI:18428) is a D-glucoside (CHEBI:35436)
IUPAC Name 
(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl D-glucopyranoside
Synonyms  Source
1-Sinapoyl-D-glucoseKEGG COMPOUND
1-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-D-glucopyranoseIUPAC
4-O-beta-D-Glucosyl-sinapateKEGG COMPOUND
Manual XrefsDatabases
C02919KEGG COMPOUND