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ONTOLOGY REPORT - ANNOTATIONS


Term:Theaflavin 3,3'-digallate
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Accession:CHEBI:136608 term browser browse the term
Synonyms:exact_synonym: (3,4,5-Trihydroxy-6-oxo-6H-benzo[7]annulene-1,8-diyl)bis[(2R,3R)-5,7-dihydroxy-3,4-dihydro-2H-chromene-2,3-diyl] bis(3,4,5-trihydroxybenzoate)
 related_synonym: Formula=C43H32O20;   InChI=1S/C43H32O20/c44-17-7-23(46)21-12-33(62-42(58)15-3-25(48)36(54)26(49)4-15)40(60-31(21)9-17)14-1-19-20(11-30(53)39(57)35(19)38(56)29(52)2-14)41-34(13-22-24(47)8-18(45)10-32(22)61-41)63-43(59)16-5-27(50)37(55)28(51)6-16/h1-11,33-34,40-41,44-51,53-55,57H,12-13H2,(H,52,56)/t33-,34-,40-,41-/m1/s1;   InChIKey=ZEASWHWETFMWCV-ISBUVJFSSA-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]6OC(=O)C8=CC(O)=C(O)C(O)=C8)=C(O)C=C(O)C7)=CC(=O)C(O)=C5C(O)=C(O)C4
 xref: Chemspider:410681


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  CHEBI ontology 834
    chemical entity 834
      molecular entity 832
        polyatomic entity 795
          heteroatomic molecular entity 750
            hydroxides 653
              organic hydroxy compound 564
                hydroxyflavan 10
                  catechin 10
                    Theaflavin 3,3'-digallate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 834
    subatomic particle 818
      composite particle 818
        hadron 818
          baryon 818
            nucleon 818
              atomic nucleus 818
                atom 818
                  main group element atom 806
                    p-block element atom 803
                      carbon group element atom 774
                        carbon atom 770
                          organic molecular entity 770
                            organic molecule 687
                              organic cyclic compound 612
                                organic heterocyclic compound 325
                                  oxacycle 238
                                    benzopyran 110
                                      1-benzopyran 65
                                        flavonoid 31
                                          flavans 10
                                            hydroxyflavan 10
                                              catechin 10
                                                Theaflavin 3,3'-digallate 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.