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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:4-Phenylbutyl glucosinolate
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Accession:CHEBI:169658 term browser browse the term
Synonyms:exact_synonym: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-phenyl-N-sulooxypentanimidothioate
 related_synonym: Formula=C17H25NO9S2;   InChI=1S/C17H25NO9S2/c19-10-12-14(20)15(21)16(22)17(26-12)28-13(18-27-29(23,24)25)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12,14-17,19-22H,4-5,8-10H2,(H,23,24,25)/b18-13+;   InChIKey=PJZFULXMEGMUDK-QGOAFFKASA-N;   SMILES=S(C1OC(C(O)C(O)C1O)CO)\\C(=N\\OS(O)(=O)=O)\\CCCCC2=CC=CC=C2
 xref: Chemspider:35014573;   HMDB:HMDB0038415



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 918
    role 871
      biological role 871
        biochemical role 746
          metabolite 731
            eukaryotic metabolite 705
              plant metabolite 425
                glucosinolate 0
                  alkylglucosinolate 0
                    4-Phenylbutyl glucosinolate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 918
    subatomic particle 903
      composite particle 903
        hadron 903
          baryon 903
            nucleon 903
              atomic nucleus 903
                atom 903
                  main group element atom 866
                    p-block element atom 863
                      chalcogen 828
                        oxygen atom 774
                          oxygen molecular entity 774
                            oxide 73
                              oxoanion 41
                                chalcogen oxoanion 1
                                  sulfur oxoanion 1
                                    glycosinolate 0
                                      glucosinolate 0
                                        alkylglucosinolate 0
                                          4-Phenylbutyl glucosinolate 0
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