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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-(indol-3-yl)butanoyl-beta-D-glucose
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Accession:CHEBI:145927 term browser browse the term
Definition:A beta-D-glucoside resulting from the formal condensation of 1-hydroxy group of beta-D-glucopyranose with the carboxy group of indole-3-butyric acid.
Synonyms:exact_synonym: 1-O-[4-(1H-indol-3-yl)butanoyl]-beta-D-glucopyranose
 related_synonym: (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl 4-(1H-indol-3-yl)butanoate;   1H-indole-3-butyric acid beta-D-glucopyranosyl ester;   Formula=C18H23NO7;   IBA-beta-D-Glc;   IBA-beta-D-glucopyranose;   IBA-beta-D-glucose;   InChI=1S/C18H23NO7/c20-9-13-15(22)16(23)17(24)18(25-13)26-14(21)7-3-4-10-8-19-12-6-2-1-5-11(10)12/h1-2,5-6,8,13,15-20,22-24H,3-4,7,9H2/t13-,15-,16+,17-,18+/m1/s1;   InChIKey=CIJFFKOICMQHCH-LHKMKVQPSA-N;   SMILES=C=1C=CC=C2NC=C(C12)CCCC(O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)=O;   indole-3-butyryl-beta-D-glucose
 xref: MetaCyc:CPD-12621;   PMID:15779830;   PMID:19885676;   PMID:20798329


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Term Annotations click to browse term
  CHEBI ontology 19853
    role 19825
      biological role 19823
        epitope 7030
          beta-D-glucose 1661
            beta-D-glucoside 1468
              4-(indol-3-yl)butanoyl-beta-D-glucose 0
Path 2
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  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19797
                    p-block element atom 19797
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19492
                              organochalcogen compound 19254
                                organooxygen compound 19170
                                  carbohydrates and carbohydrate derivatives 15293
                                    carbohydrate 15293
                                      monosaccharide 4812
                                        aldose 3231
                                          aldohexose 2882
                                            glucose 2836
                                              D-glucose 2834
                                                D-glucopyranose 1810
                                                  beta-D-glucose 1661
                                                    beta-D-glucoside 1468
                                                      4-(indol-3-yl)butanoyl-beta-D-glucose 0
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