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CHEBI:91032 - fertaric acid

ChEBI IDCHEBI:91032
ChEBI Namefertaric acid
Stars
DefinitionA cinnamate ester obtained by formal condensation of the carboxy group of ferulic acid with one of the hydroxy groups of tartaric acid.
Last Modified29 January 2016
SubmitterSteve
DownloadsMolfile
FormulaC14H14O9
Net Charge0
Average Mass326.257
Monoisotopic Mass326.06378
SMILESCOc1cc(C=CC(=O)OC(C(=O)O)C(O)C(=O)O)ccc1O
InChIInChI=1S/C14H14O9/c1-22-9-6-7(2-4-8(9)15)3-5-10(16)23-12(14(20)21)11(17)13(18)19/h2-6,11-12,15,17H,1H3,(H,18,19)(H,20,21)
InChIKeyXIWXUSFCUBAMFH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Vitis vinifera (ncbitaxon:29760)
- MetaboLights (MTBLS55)
- DOI (10.1007/s11306-014-0638-x)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
fertaric acid (CHEBI:91032) has functional parent 2,3-dihydroxybutanedioic acid (CHEBI:15674)
fertaric acid (CHEBI:91032) is a aromatic ether (CHEBI:35618)
fertaric acid (CHEBI:91032) is a cinnamate ester (CHEBI:36087)
fertaric acid (CHEBI:91032) is a dicarboxylic acid (CHEBI:35692)
fertaric acid (CHEBI:91032) is a phenols (CHEBI:33853)
fertaric acid (CHEBI:91032) is a tetraric acid derivative (CHEBI:63440)
Incoming Relation(s)
(2R,3R)-cis-fertaric acid (CHEBI:76115) is a fertaric acid (CHEBI:91032)
(2R,3R)-trans-fertaric acid (CHEBI:76116) is a fertaric acid (CHEBI:91032)
(2S,3S)-cis-fertaric acid (CHEBI:76118) is a fertaric acid (CHEBI:91032)
(2S,3S)-trans-fertaric acid (CHEBI:76120) is a fertaric acid (CHEBI:91032)
IUPAC Name 
2-hydroxy-3-{[3-(4-hydroxy-3-methoxyphenyl)acryloyl]oxy}butanedioic acid
Synonyms  Source
fertaric acidsChEBI
feruloyltartaric acidChEBI