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CHEBI:27420 - Diferulic acid

ChEBI IDCHEBI:27420
ChEBI NameDiferulic acid
Stars
Secondary ChEBI IDsCHEBI:4535, CHEBI:23714
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H18O8
Net Charge0
Average Mass386.356
Monoisotopic Mass386.10017
SMILESCOc1cc(/C=C/C(=O)O)cc(-c2cc(/C=C/C(=O)O)cc(OC)c2O)c1O
InChIInChI=1S/C20H18O8/c1-27-15-9-11(3-5-17(21)22)7-13(19(15)25)14-8-12(4-6-18(23)24)10-16(28-2)20(14)26/h3-10,25-26H,1-2H3,(H,21,22)(H,23,24)/b5-3+,6-4+
InChIKeyLBQZVWQOPFFQJI-GGWOSOGESA-N
ChEBI Ontology
Outgoing Relation(s)
Diferulic acid (CHEBI:27420) is a trans-ferulic acid (CHEBI:17620)
Synonyms  Source
diferulic acidChEBI
Diferulic acidKEGG COMPOUND
Manual XrefsDatabases
C00002734KNApSAcK
C10446KEGG COMPOUND
C10446KEGG COMPOUND
Registry NumbersSources
CAS:436-96-4KEGG COMPOUND