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CHEBI:747476 - dihydrosinapate

Default Structure
ChEBI IDCHEBI:747476
ChEBI Namedihydrosinapate
Stars
Last Modified27 March 2026
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC11H13O5
Net Charge-1
Average Mass225.220
Monoisotopic Mass225.07685
SMILESCOc1cc(CCC(=O)[O-])cc(OC)c1O
InChIInChI=1S/C11H14O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h5-6,14H,3-4H2,1-2H3,(H,12,13)/p-1
InChIKeyBPPVOXVSMSXBEI-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
dihydrosinapate (CHEBI:747476) is a monocarboxylic acid anion (CHEBI:35757)
dihydrosinapate (CHEBI:747476) is conjugate base of Dihydrosinapic acid (CHEBI:174167)
UniProt Name  Source
dihydrosinapateUniProt
Manual XrefsDatabases
CPD-28243MetaCyc