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CHEBI:189577 - ferulic acid-O-glucoside

ChEBI IDCHEBI:189577
ChEBI Nameferulic acid-O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O9
Net Charge0
Average Mass356.327
Monoisotopic Mass356.11073
SMILESCOc1cc(/C=C/C(=O)O)ccc1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16?/m1/s1
InChIKeyIEMIRSXOYFWPFD-ZSJFXSENSA-N
Species of MetaboliteComponentSourceComments
Vitis vinifera (ncbitaxon:29760) Wine (NCIT:C66822) MetaboLights (MTBLS2413)
ChEBI Ontology
Outgoing Relation(s)
ferulic acid-O-glucoside (CHEBI:189577) is a glycoside (CHEBI:24400)
IUPAC Name 
(E)-3-[3-methoxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
Manual XrefsDatabases
79715434ChemSpider