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CHEBI:16433 - trans-caffeic acid

ChEBI IDCHEBI:16433
ChEBI Nametrans-caffeic acid
Stars
ASCII Nametrans-caffeic acid
DefinitionThe trans-isomer of caffeic acid.
Secondary ChEBI IDsCHEBI:1379, CHEBI:11691, CHEBI:11692, CHEBI:12870, CHEBI:19877, CHEBI:41964
Last Modified21 October 2024
DownloadsMolfile

FormulaC9H8O4
Net Charge0
Average Mass180.159
Monoisotopic Mass180.04226
SMILESO=C(O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChIKeyQAIPRVGONGVQAS-DUXPYHPUSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Solanum campaniforme (IPNI:818569-1) leaf (BTO:0000713) PubMed (21962208) Dried leaves were extracted with ethyl alcohol.
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification

ChEBI Ontology
IUPAC Name 
(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Synonyms  Source
3,4-Dihydroxy-trans-cinnamateKEGG COMPOUND
trans-CaffeateKEGG COMPOUND
3,4-dihydroxy-trans-cinnamateChEBI
trans-caffeateChEBI
CAFFEIC ACIDPDBeChem
3,4-Dihydroxy-trans-cinnamateKEGG COMPOUND
Manual XrefsDatabases
C01197KEGG COMPOUND
DHCPDBeChem
Caffeic_acidWikipedia
HMDB0001964HMDB
C00000615KNApSAcK
C01481KEGG COMPOUND
Registry NumbersSources
Reaxys:1954563Reaxys
CAS:501-16-6KEGG COMPOUND
CAS:501-16-6ChemIDplus
CAS:331-39-5KEGG COMPOUND
Citations