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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:3-(3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-thienylcarbonyl)acrylonitrile
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Accession:CHEBI:228742 term browser browse the term
Synonyms:exact_synonym: 3-(3,5-dimethyl-1H-pyrrol-2-yl)-2-(thiophene-2-carbonyl)prop-2-enenitrile
 related_synonym: Formula=C14H12N2OS;   InChI=1S/C14H12N2OS/c1-9-6-10(2)16-12(9)7-11(8-15)14(17)13-4-3-5-18-13/h3-7,16H,1-2H3;   InChIKey=LSSUNRGUYUVYQE-UHFFFAOYSA-N;   SMILES=S1C(C(=O)C(=CC=2NC(=CC2C)C)C#N)=CC=C1
 xref: Chemspider:2022662



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Path 1
Term Annotations click to browse term
  CHEBI ontology 1271
    chemical entity 1271
      group 1265
        inorganic group 1216
          oxo group 404
            organic oxo compound 404
              carbonyl compound 404
                ketone 48
                  aromatic ketone 9
                    3-(3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-thienylcarbonyl)acrylonitrile 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 1271
    subatomic particle 1271
      composite particle 1271
        hadron 1271
          baryon 1271
            nucleon 1271
              atomic nucleus 1271
                atom 1271
                  main group element atom 1264
                    p-block element atom 1264
                      carbon group element atom 1254
                        carbon atom 1253
                          organic molecular entity 1253
                            heteroorganic entity 478
                              organochalcogen compound 430
                                organooxygen compound 428
                                  carbonyl compound 404
                                    ketone 48
                                      aromatic ketone 9
                                        3-(3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-thienylcarbonyl)acrylonitrile 0
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