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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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Term Annotations click to browse term
  CHEBI ontology 21264
    chemical entity 21262
      molecular entity 21254
        polyatomic entity 21134
          heteroatomic molecular entity 21036
            hydroxides 19768
              organic hydroxy compound 18871
                hydroxyflavan 2889
                  catechin 2874
                    Theaflavin 3,3'-digallate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21264
    subatomic particle 21260
      composite particle 21260
        hadron 21260
          baryon 21260
            nucleon 21260
              atomic nucleus 21260
                atom 21260
                  main group element atom 21128
                    p-block element atom 21128
                      carbon group element atom 20901
                        carbon atom 20791
                          organic molecular entity 20791
                            organic molecule 20674
                              organic cyclic compound 20125
                                organic heterocyclic compound 18980
                                  oxacycle 17216
                                    benzopyran 9588
                                      1-benzopyran 9293
                                        flavonoid 6428
                                          flavans 3017
                                            hydroxyflavan 2889
                                              catechin 2874
                                                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.