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ONTOLOGY REPORT - ANNOTATIONS


Term:esculin
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Accession:CHEBI:4853 term browser browse the term
Definition:A hydroxycoumarin that is the 6-O-beta-D-glucoside of esculetin.
Synonyms:exact_synonym: 7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside
 related_synonym: 6,7-Dihydroxycoumarin 6-glucoside;   6,7-Dihydroxycoumarin-6-O-glucoside;   6-(beta-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one;   6-(beta-D-Glucopyranosyloxy)-7-hydroxy-cumarin;   7-Hydroxy-6-glucosyloxy-2H-chromene;   Aesculin;   Esculetin 6-O-glucoside;   Esculoside;   Formula=C15H16O9;   InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1;   InChIKey=XHCADAYNFIFUHF-TVKJYDDYSA-N;   SMILES=OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O;   esculetin 6-beta-D-glucoside
 xref: CAS:531-75-9 "ChemIDplus";   CAS:531-75-9 "KEGG COMPOUND";   HMDB:HMDB0030820;   KEGG:C09264;   KNApSAcK:C00002472;   MetaCyc:14461;   PMID:22564167 "Europe PMC";   PMID:23497098 "Europe PMC";   PMID:23499166 "Europe PMC";   Reaxys:95387 "Reaxys";   Wikipedia:Aesculin


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Term Annotations click to browse term
  CHEBI ontology 19748
    role 19695
      chemical role 19211
        antioxidant 14137
          esculin 0
            esculin hydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19748
    subatomic particle 19744
      composite particle 19744
        hadron 19744
          baryon 19744
            nucleon 19744
              atomic nucleus 19744
                atom 19744
                  main group element atom 19628
                    p-block element atom 19628
                      carbon group element atom 19522
                        carbon atom 19516
                          organic molecular entity 19516
                            heteroorganic entity 19080
                              organochalcogen compound 18795
                                organooxygen compound 18707
                                  carbohydrates and carbohydrate derivatives 12113
                                    carbohydrate 12113
                                      monosaccharide 3932
                                        aldose 2429
                                          aldohexose 2069
                                            glucose 2029
                                              D-glucose 2029
                                                D-glucopyranose 1609
                                                  beta-D-glucose 1585
                                                    beta-D-glucoside 1390
                                                      esculin 0
                                                        esculin hydrate 0
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