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CHEBI:194845 - Methyl-sinapate

Default Structure
ChEBI IDCHEBI:194845
ChEBI NameMethyl-sinapate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O5
Net Charge0
Average Mass238.239
Monoisotopic Mass238.08412
SMILESCOC(=O)/C=C/c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3/b5-4+
InChIKeyJHLPYWLKSLVYOI-SNAWJCMRSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Methyl-sinapate (CHEBI:194845) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Manual XrefsDatabases
4479104ChemSpider