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ONTOLOGY REPORT - ANNOTATIONS


Term:Theaflavin-3-gallate
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Accession:CHEBI:136607 term browser browse the term
Synonyms:exact_synonym: (2R,3R)-5,7-Dihydroxy-2-{3,4,5-trihydroxy-6-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6H-benzo[7]annulen-1-yl}-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
 related_synonym: Formula=C36H28O16;   InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)34(50-27(18)7-14)12-1-16-17(9-25(44)33(48)30(16)32(47)24(43)2-12)35-29(11-19-21(40)6-15(38)8-28(19)51-35)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29-,34-,35-/m1/s1;   InChIKey=GPLOTACQBREROW-WQLSNUALSA-N;   SMILES=O1[C@@H]([C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)CC=3C1=CC(O)=CC3O)C=4C5=CC([C@H]6OC=7C(C[C@H]6O)=C(O)C=C(O)C7)=CC(=O)C(O)=C5C(O)=C(O)C4
 xref: Chemspider:410682


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Path 1
Term Annotations click to browse term
  CHEBI ontology 23806
    chemical entity 23769
      molecular entity 23717
        polyatomic entity 23628
          heteroatomic molecular entity 23204
            hydroxides 22010
              organic hydroxy compound 20351
                hydroxyflavan 3090
                  catechin 3074
                    Theaflavin-3-gallate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 23806
    subatomic particle 23757
      composite particle 23757
        hadron 23757
          baryon 23757
            nucleon 23757
              atomic nucleus 23757
                atom 23757
                  main group element atom 23576
                    p-block element atom 23576
                      carbon group element atom 23289
                        carbon atom 23243
                          organic molecular entity 23243
                            organic molecule 23107
                              organic cyclic compound 22098
                                organic heterocyclic compound 20742
                                  oxacycle 18985
                                    benzopyran 9925
                                      1-benzopyran 9603
                                        flavonoid 6707
                                          flavans 3222
                                            hydroxyflavan 3090
                                              catechin 3074
                                                Theaflavin-3-gallate 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.