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CHEBI:181633 - 2-beta-D-Glucopyranosyloxy-4-methoxy-cis-cinnamic acid

Default Structure
ChEBI IDCHEBI:181633
ChEBI Name2-beta-D-Glucopyranosyloxy-4-methoxy-cis-cinnamic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O9
Net Charge0
Average Mass356.327
Monoisotopic Mass356.11073
SMILESCOc1ccc(/C=C\C(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C16H20O9/c1-23-9-4-2-8(3-5-12(18)19)10(6-9)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
InChIKeyFQWZGEBZILOCET-QEQKPWIDSA-N
ChEBI Ontology
Outgoing Relation(s)
2-beta-D-Glucopyranosyloxy-4-methoxy-cis-cinnamic acid (CHEBI:181633) is a glycoside (CHEBI:24400)
IUPAC Name 
(Z)-3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
Manual XrefsDatabases
22913845ChemSpider