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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:Calebin A
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Accession:CHEBI:175904 term browser browse the term
Synonyms:exact_synonym: [(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
 related_synonym: Formula=C21H20O7;   InChI=1S/C21H20O7/c1-26-19-11-14(4-8-17(19)23)3-7-16(22)13-28-21(25)10-6-15-5-9-18(24)20(12-15)27-2/h3-12,23-24H,13H2,1-2H3/b7-3+,10-6+;   InChIKey=UYEWRTKHKAVRDI-ASVGJQBISA-N;   SMILES=O(C=1C=C(C=CC1O)/C=C/C(=O)COC(=O)\\C=C\\C2=CC(OC)=C(O)C=C2)C
 xref: CAS:336784-82-8;   Chemspider:553044;   HMDB:HMDB0040134


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19832
    chemical entity 19830
      atom 19830
        nonmetal atom 19768
          carbon atom 19725
            organic molecular entity 19725
              olefinic compound 16979
                cinnamic acids 2508
                  hydroxycinnamic acid 1363
                    Calebin A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19832
    subatomic particle 19830
      composite particle 19830
        hadron 19830
          baryon 19830
            nucleon 19830
              atomic nucleus 19830
                atom 19830
                  main group element atom 19780
                    p-block element atom 19780
                      carbon group element atom 19729
                        carbon atom 19725
                          organic molecular entity 19725
                            heteroorganic entity 19479
                              organochalcogen compound 19242
                                organooxygen compound 19157
                                  carbon oxoacid 18615
                                    carboxylic acid 18612
                                      monocarboxylic acid 17969
                                        alpha,beta-unsaturated monocarboxylic acid 13457
                                          cinnamic acids 2508
                                            hydroxycinnamic acid 1363
                                              Calebin A 0
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