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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:1-(4-hydroxyphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-2-propen-1-one
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Accession:CHEBI:107740 term browser browse the term
Definition:A chalcone that has formula C18H14N4O4S.
Synonyms:related_synonym: Formula=C18H14N4O4S;   InChI=1S/C18H14N4O4S/c1-21-11-19-20-18(21)27-17-9-3-12(10-15(17)22(25)26)2-8-16(24)13-4-6-14(23)7-5-13/h2-11,23H,1H3;   InChIKey=PVHHKNYFQPGGSN-UHFFFAOYSA-N;   SMILES=CN1C=NN=C1SC2=C(C=C(C=C2)C=CC(=O)C3=CC=C(C=C3)O)[N+](=O)[O-]
 xref: LINCS:LSM-19117

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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          oxygen atom 0
            oxygen molecular entity 0
              flavonoids 0
                chalcones 0
                  1-(4-hydroxyphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-2-propen-1-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      alpha,beta-unsaturated ketone 0
                                        enone 0
                                          chalcones 0
                                            1-(4-hydroxyphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-2-propen-1-one 0
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