EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:131933 - (−)-DCA-CL(1−)

ChEBI IDCHEBI:131933
ChEBI Name(−)-DCA-CL(1−)
Stars
ASCII Name(-)-DCA-CL(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of (−)-DCA-CL, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified20 June 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H17O7
Net Charge-1
Average Mass369.349
Monoisotopic Mass369.09798
SMILESCOc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)[O-])cc3[C@H]2C=O)ccc1O
InChIInChI=1S/C20H18O7/c1-25-16-9-12(4-5-15(16)22)19-14(10-21)13-7-11(3-6-18(23)24)8-17(26-2)20(13)27-19/h3-10,14,19,22H,1-2H3,(H,23,24)/p-1/b6-3+/t14-,19+/m1/s1
InChIKeyWJCNWNKOLJMKJE-WARYXCEBSA-M
ChEBI Ontology
Outgoing Relation(s)
(−)-DCA-CL(1−) (CHEBI:131933) is a monocarboxylic acid anion (CHEBI:35757)
(−)-DCA-CL(1−) (CHEBI:131933) is conjugate base of (−)-DCA-CL (CHEBI:132247)
(−)-DCA-CL(1−) (CHEBI:131933) is enantiomer of (+)-DCA-CL(1−) (CHEBI:131936)
Incoming Relation(s)
(−)-DCA-CL (CHEBI:132247) is conjugate acid of (−)-DCA-CL(1−) (CHEBI:131933)
(+)-DCA-CL(1−) (CHEBI:131936) is enantiomer of (−)-DCA-CL(1−) (CHEBI:131933)
IUPAC Name 
(2E)-3-[(2R,3R)-3-formyl-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate
Synonym  Source
(−)-dehydrodiconiferyl acid aldehyde(1−)ChEBI
UniProt Name  Source
(−)-dehydrodiconiferyl acid ketoneUniProt
Manual XrefsDatabases
CPD-17078MetaCyc
Citations