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ONTOLOGY REPORT - ANNOTATIONS


Term:1-O-sinapoyl-beta-D-glucose
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Accession:CHEBI:16546 term browser browse the term
Definition:A glucosyl hydroxycinnamic acid that is the cinnamate ester obtained by the formal condensation of the carboxy group of trans-sinapic acid with the anomeric hydroxy group of beta-D-glucose.
Synonyms:exact_synonym: (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl beta-D-glucopyranoside
 related_synonym: (E)-(2S,3R,4S,5S,6R)-TETRAHYDRO-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2H-PYRAN-2-YL 3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)ACRYLATE;   1-O-(trans-sinapoyl)-beta-D-glucose;   1-O-Sinapoyl beta-D-glucoside;   1-O-[(2E)-sinapoyl]-beta-D-glucopyranose;   1-O-[(2E)-sinapoyl]-beta-D-glucose;   1-O-[(E)-sinapoyl]-beta-D-glucopyranose;   Formula=C17H22O10;   InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1;   InChIKey=XRKBRPFTFKKHEF-DGDBGZAXSA-N;   SMILES=COc1cc(cc(OC)c1O)\\C=C\\C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
 alt_id: CHEBI:11218;   CHEBI:11219;   CHEBI:18986;   CHEBI:45550;   CHEBI:657;   CHEBI:658
 xref: KEGG:C01175;   KNApSAcK:C00013592;   PDBeChem:SGS;   PMID:24241853 "Europe PMC";   PMID:24271623 "Europe PMC";   Reaxys:4272186 "Reaxys"


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19654
    role 19598
      application 19220
        MALDI matrix material 909
          trans-sinapic acid 9
            1-O-sinapoyl-beta-D-glucose 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19654
    subatomic particle 19650
      composite particle 19650
        hadron 19650
          baryon 19650
            nucleon 19650
              atomic nucleus 19650
                atom 19650
                  main group element atom 19531
                    p-block element atom 19531
                      carbon group element atom 19413
                        carbon atom 19405
                          organic molecular entity 19405
                            organic group 18331
                              organic divalent group 18321
                                organodiyl group 18321
                                  carbonyl group 18209
                                    carbonyl compound 18209
                                      carboxylic acid 17908
                                        monocarboxylic acid 17245
                                          alpha,beta-unsaturated monocarboxylic acid 11259
                                            cinnamic acids 2353
                                              hydroxycinnamic acid 1231
                                                monohydroxycinnamic acid 902
                                                  sinapic acid 9
                                                    trans-sinapic acid 9
                                                      1-O-sinapoyl-beta-D-glucose 0
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