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ONTOLOGY REPORT - ANNOTATIONS


Term:isobutrin
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Accession:CHEBI:5989 term browser browse the term
Definition:A member of the class of chalcones that is trans-chalcone substituted by beta-D-glucopyranosyloxy groups at positions 3 and 4' and hydroxy groups at positions 4 and 2' respectively.
Synonyms:exact_synonym: 5-{(1E)-3-[4-(beta-D-glucopyranosyloxy)-2-hydroxyphenyl]-3-oxoprop-1-en-1-yl}-2-hydroxyphenyl beta-D-glucopyranoside
 related_synonym: 3,4'-bis-beta-D-glucopyranosyloxy-4,2'-dihydroxy-transchalcone;   Formula=C27H32O15;   InChI=1S/C27H32O15/c28-9-18-20(33)22(35)24(37)26(41-18)39-12-3-4-13(16(32)8-12)14(30)5-1-11-2-6-15(31)17(7-11)40-27-25(38)23(36)21(34)19(10-29)42-27/h1-8,18-29,31-38H,9-10H2/b5-1+/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1;   InChIKey=XOTWNDIAAITUKR-KUUXHJTOSA-N;   SMILES=OC[C@H]1O[C@@H](Oc2ccc(C(=O)\\C=C\\c3ccc(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
 xref: CAS:536-01-6 "ChemIDplus";   CAS:536-01-6 "KEGG COMPOUND";   KEGG:C08649;   KNApSAcK:C00002382;   LIPID_MAPS_instance:LMPK12120020 "LIPID MAPS";   PMID:21608995 "Europe PMC";   PMID:23680157 "Europe PMC";   PMID:3725938 "Europe PMC";   Reaxys:101892 "Reaxys"


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  CHEBI ontology 19745
    role 19692
      application 19347
        anti-inflammatory agent 14951
          isobutrin 0
Path 2
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  CHEBI ontology 19745
    subatomic particle 19741
      composite particle 19741
        hadron 19741
          baryon 19741
            nucleon 19741
              atomic nucleus 19741
                atom 19741
                  main group element atom 19625
                    p-block element atom 19625
                      carbon group element atom 19519
                        carbon atom 19513
                          organic molecular entity 19513
                            heteroorganic entity 19077
                              organochalcogen compound 18793
                                organooxygen compound 18705
                                  carbohydrates and carbohydrate derivatives 12107
                                    carbohydrate 12107
                                      monosaccharide 3929
                                        aldose 2428
                                          aldohexose 2068
                                            glucose 2028
                                              D-glucose 2028
                                                D-glucopyranose 1609
                                                  beta-D-glucose 1585
                                                    beta-D-glucoside 1390
                                                      isobutrin 0
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