CHEBI:131936 - (+)-DCA-CL(1−)

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ChEBI Name (+)-DCA-CL(1−) ChEBI ID CHEBI:131936 ChEBI ASCII Name (+)-DCA-CL(1-) Definition A monocarboxylic acid anion that is the conjugate base of (+)-DCA-CL, obtained by deprotonation of the carboxy group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H17O7 Net Charge -1 Average Mass 369.346 Monoisotopic Mass 369.09798 InChI InChI=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+/m0/s1 InChIKey WJCNWNKOLJMKJE-ZMOFONSMSA-M SMILES C1=C(C=C2C(=C1OC)O[C@@H]([C@H]2C=O)C3=CC=C(C(=C3)OC)O)/C=C/C([O-])=O ChEBI Ontology Outgoing (+)-DCA-CL(1−) (CHEBI:131936) is a monocarboxylic acid anion (CHEBI:35757) (+)-DCA-CL(1−) (CHEBI:131936) is conjugate base of (+)-DCA-CL (CHEBI:132251) (+)-DCA-CL(1−) (CHEBI:131936) is enantiomer of (−)-DCA-CL(1−) (CHEBI:131933) Incoming (+)-DCA-CL (CHEBI:132251) is conjugate acid of (+)-DCA-CL(1−) (CHEBI:131936) (−)-DCA-CL(1−) (CHEBI:131933) is enantiomer of (+)-DCA-CL(1−) (CHEBI:131936) IUPAC Name (2E)-3-[(2S,3S)-3-formyl-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate Synonyms Sources (+)-dehydrodiconiferyl acid aldehyde(1−) ChEBI (+)-dehydrodiconiferyl acid ketone UniProt Manual Xref Database CPD-18964 MetaCyc View more database links Citation Type Source 26362985 PubMed citation SUBMITTER Last Modified 21 June 2016