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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:Glucobarbarin
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Accession:CHEBI:81001 term browser browse the term
Definition:A glucosinolate that has formula C15H21NO10S2.
Synonyms:related_synonym: 2(R)-Hydroxy-2-phenylethyl glucosinolate;   Formula=C15H21NO10S2;   InChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)/t9?,10-,12-,13+,14-,15+/m1/s1;   InChIKey=GAPDDBFHNYHZIS-LNUNAXHXSA-N;   SMILES=OC[C@H]1O[C@@H](SC(CC(O)c2ccccc2)=NOS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O
 xref: KEGG:C17274


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      biological role 19785
        epitope 7028
          beta-D-glucose 1657
            1-thio-beta-D-glucopyranose 15
              beta-D-thioglucoside 15
                glucosinolic acid 15
                  Glucobarbarin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  carbohydrates and carbohydrate derivatives 15269
                                    carbohydrate 15284
                                      monosaccharide 4802
                                        aldose 3218
                                          aldohexose 2866
                                            glucose 2825
                                              D-glucose 2819
                                                D-glucopyranose 1805
                                                  beta-D-glucose 1657
                                                    1-thio-beta-D-glucopyranose 15
                                                      beta-D-thioglucoside 15
                                                        desulfoglucosinolic acid 15
                                                          glucosinolic acid 15
                                                            Glucobarbarin 0
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