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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-butyl-3-[(2,5-dimethylphenyl)methylideneamino]thiourea
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Accession:CHEBI:107847 term browser browse the term
Definition:An alkylbenzene that has formula C14H21N3S.
Synonyms:related_synonym: Formula=C14H21N3S;   InChI=1S/C14H21N3S/c1-4-5-8-15-14(18)17-16-10-13-9-11(2)6-7-12(13)3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,15,17,18);   InChIKey=BKPHTKNXTNUKNK-UHFFFAOYSA-N;   SMILES=CCCCNC(=S)NN=CC1=C(C=CC(=C1)C)C
 xref: LINCS:LSM-19224


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26041
    role 25957
      chemical role 24249
        environmental contaminant 20878
          benzene 6134
            alkylbenzene 3636
              1-butyl-3-[(2,5-dimethylphenyl)methylideneamino]thiourea 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    main group molecular entity 25841
                      s-block molecular entity 25162
                        hydrogen molecular entity 24761
                          hydrides 22973
                            organic hydride 21936
                              organic fundamental parent 21936
                                hydrocarbon 21359
                                  cyclic hydrocarbon 20003
                                    monocyclic hydrocarbon 6491
                                      annulene 6134
                                        aromatic annulene 6134
                                          benzene 6134
                                            alkylbenzene 3636
                                              1-butyl-3-[(2,5-dimethylphenyl)methylideneamino]thiourea 0
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