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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:2-trans-abscisic acid D-glucosyl ester
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Accession:CHEBI:133910 term browser browse the term
Definition:An enoate ester that results from the condensation of the carboxylic acid group of 2-trans-abscisic acid with the anomeric hydroxy group of D-glucopyranose.
Synonyms:exact_synonym: 1-O-[(2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoyl]-D-glucopyranose
 related_synonym: 2-trans-abscisic acid D-glucopyranosyl ester;   Formula=C21H30O9;   InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7+/t14-,16-,17+,18-,19?,21?/m1/s1;   InChIKey=HLVPIMVSSMJFPS-JGYDSPBFSA-N;   SMILES=C1C(C(C(=CC1=O)C)(/C=C/C(=C/C(=O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C)O)(C)C;   abscisic acid glucose ester
 xref: Chemspider:24534260;   PMID:15773852;   PMID:16623908;   PMID:19167901;   PMID:22906007;   PMID:26504563



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  CHEBI ontology 19811
    role 19818
      biological role 19785
        biochemical role 19496
          metabolite 19484
            eukaryotic metabolite 19303
              plant metabolite 17945
                2-trans-abscisic acid D-glucosyl ester 0
                  (S)-2-trans-abscisic acid D-glucopyranosyl ester + 0
Path 2
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  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
                                                  2-trans-abscisic acid D-glucosyl ester 0
                                                    (S)-2-trans-abscisic acid D-glucopyranosyl ester + 0
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