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CHEBI:28323 - 3,4-dihydroxycinnamaldehyde

Default Structure
ChEBI IDCHEBI:28323
ChEBI Name3,4-dihydroxycinnamaldehyde
Stars
DefinitionA cinnamaldehyde that is (E)-cinnamaldehyde substituted at positions 3 and 4 on the phenyl ring by hydroxy groups.
Secondary ChEBI IDsCHEBI:3294, CHEBI:22981, CHEBI:75315
Last Modified23 April 2015
SubmitterKAX
DownloadsMolfile
FormulaC9H8O3
Net Charge0
Average Mass164.160
Monoisotopic Mass164.04734
SMILES[H]C(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H/b2-1+
InChIKeyAXMVYSVVTMKQSL-OWOJBTEDSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3,4-dihydroxycinnamaldehyde (CHEBI:28323) has role metabolite (CHEBI:25212)
3,4-dihydroxycinnamaldehyde (CHEBI:28323) is a catechols (CHEBI:33566)
3,4-dihydroxycinnamaldehyde (CHEBI:28323) is a cinnamaldehydes (CHEBI:23245)
IUPAC Name 
(2E)-3-(3,4-dihydroxyphenyl)prop-2-enal
Synonyms  Source
(2E)-3-(3,4-dihydroxyphenyl)acrylaldehydeIUPAC
Caffeic aldehydeKEGG COMPOUND
Caffeyl aldehydeKEGG COMPOUND
(E)-3,4-dihydroxycinnamaldehydeChEBI
trans-3,4-dihydroxycinnamaldehydeChEBI
UniProt Name  Source
(E)-caffeyl aldehydeUniProt
Manual XrefsDatabases
C00007511KNApSAcK
C10945KEGG COMPOUND
US2005033090Patent
Registry NumbersSources
Reaxys:3127190Reaxys
Citations