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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:2-cyano-3-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)methyl]propanoic acid ethyl ester
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Accession:CHEBI:93229 term browser browse the term
Definition:An aromatic compound that has formula C23H27NO6.
Synonyms:related_synonym: Formula=C23H27NO6;   InChI=1S/C23H27NO6/c1-6-30-22(25)23(15-24,13-16-7-18(26-2)11-19(8-16)27-3)14-17-9-20(28-4)12-21(10-17)29-5/h7-12H,6,13-14H2,1-5H3;   InChIKey=HTXMZVJFAJCANG-UHFFFAOYSA-N;   SMILES=CCOC(=O)C(CC1=CC(=CC(=C1)OC)OC)(CC2=CC(=CC(=C2)OC)OC)C#N
 xref: LINCS:LSM-3565


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  CHEBI ontology 227
    chemical entity 227
      molecular entity 227
        polyatomic entity 219
          molecule 205
            cyclic compound 186
              aromatic compound 120
                2-cyano-3-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)methyl]propanoic acid ethyl ester 0
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  CHEBI ontology 227
    subatomic particle 227
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        hadron 227
          baryon 227
            nucleon 227
              atomic nucleus 227
                atom 227
                  group 220
                    polyatomic entity 219
                      molecule 205
                        cyclic compound 186
                          aromatic compound 120
                            2-cyano-3-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)methyl]propanoic acid ethyl ester 0
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